[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(1-benzhydrylazetidin-3-yl)piperazine;[4-(1-benzhydrylazetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-benzhydryl-3-methylazetidine;cis-(1R,2S)-N,2-dimethylcyclohexan-1-amine;methyl 1H-indole-5-carboxylate;1,3-thiazole-2-carboxylic acid

C94H115N15O6S3 — CID 157300480

About [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(1-benzhydrylazetidin-3-yl)piperazine;[4-(1-benzhydrylazetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-benzhydryl-3-methylazetidine;cis-(1R,2S)-N,2-dimethylcyclohexan-1-amine;methyl 1H-indole-5-carboxylate;1,3-thiazole-2-carboxylic acid

[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(1-benzhydrylazetidin-3-yl)piperazine;[4-(1-benzhydrylazetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-benzhydryl-3-methylazetidine;cis-(1R,2S)-N,2-dimethylcyclohexan-1-amine;methyl 1H-indole-5-carboxylate;1,3-thiazole-2-carboxylic acid (PubChem CID 157300480) has the molecular formula C94H115N15O6S3 and a molecular weight of 1647.25 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(1-benzhydrylazetidin-3-yl)piperazine;[4-(1-benzhydrylazetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-benzhydryl-3-methylazetidine;cis-(1R,2S)-N,2-dimethylcyclohexan-1-amine;methyl 1H-indole-5-carboxylate;1,3-thiazole-2-carboxylic acid.

Molecular Properties

• Compound Name: [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(1-benzhydrylazetidin-3-yl)piperazine;[4-(1-benzhydrylazetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-benzhydryl-3-methylazetidine;cis-(1R,2S)-N,2-dimethylcyclohexan-1-amine;methyl 1H-indole-5-carboxylate;1,3-thiazole-2-carboxylic acid
• PubChem CID: 157300480
• Molecular Formula: C94H115N15O6S3
• Molecular Weight: 1647.25 g/mol
• Exact Mass: 1645.83
• IUPAC Name: [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(1-benzhydrylazetidin-3-yl)piperazine;[4-(1-benzhydrylazetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-benzhydryl-3-methylazetidine;cis-(1R,2S)-N,2-dimethylcyclohexan-1-amine;methyl 1H-indole-5-carboxylate;1,3-thiazole-2-carboxylic acid
• SMILES: CC1CN(C(c2ccccc2)c2ccccc2)C1.CN[C@@H]1CCCC[C@@H]1C.COC(=O)c1ccc2[nH]ccc2c1.O=C(O)c1nccs1.O=C(c1nccs1)N1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1.O=C(c1nccs1)N1CCN(C2CNC2)CC1.c1ccc(C(c2ccccc2)N2CC(N3CCNCC3)C2)cc1
• InChI: InChI=1S/C24H26N4OS.C20H25N3.C17H19N.C11H16N4OS.C10H9NO2.C8H17N.C4H3NO2S/c29-24(23-25-11-16-30-23)27-14-12-26(13-15-27)21-17-28(18-21)22(19-7-3-1-4-8-19)20-9-5-2-6-10-20;1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)23-15-19(16-23)22-13-11-21-12-14-22;1-14-12-18(13-14)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16;16-11(10-13-1-6-17-10)15-4-2-14(3-5-15)9-7-12-8-9;1-13-10(12)8-2-3-9-7(6-8)4-5-11-9;1-7-5-3-4-6-8(7)9-2;6-4(7)3-5-1-2-8-3/h1-11,16,21-22H,12-15,17-18H2;1-10,19-21H,11-16H2;2-11,14,17H,12-13H2,1H3;1,6,9,12H,2-5,7-8H2;2-6,11H,1H3;7-9H,3-6H2,1-2H3;1-2H,(H,6,7)/t;;;;;7-,8+;/m.....0./s1
• InChIKey: BBVOCPWELCWVOM-KWJGURCISA-N
• XLogP: 13.92
• TPSA: 214.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1647.25
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(1-benzhydrylazetidin-3-yl)piperazine;[4-(1-benzhydrylazetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-benzhydryl-3-methylazetidine;cis-(1R,2S)-N,2-dimethylcyclohexan-1-amine;methyl 1H-indole-5-carboxylate;1,3-thiazole-2-carboxylic acid?

The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(1-benzhydrylazetidin-3-yl)piperazine;[4-(1-benzhydrylazetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-benzhydryl-3-methylazetidine;cis-(1R,2S)-N,2-dimethylcyclohexan-1-amine;methyl 1H-indole-5-carboxylate;1,3-thiazole-2-carboxylic acid (CID 157300480) is [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(1-benzhydrylazetidin-3-yl)piperazine;[4-(1-benzhydrylazetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-benzhydryl-3-methylazetidine;cis-(1R,2S)-N,2-dimethylcyclohexan-1-amine;methyl 1H-indole-5-carboxylate;1,3-thiazole-2-carboxylic acid.

What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(1-benzhydrylazetidin-3-yl)piperazine;[4-(1-benzhydrylazetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-benzhydryl-3-methylazetidine;cis-(1R,2S)-N,2-dimethylcyclohexan-1-amine;methyl 1H-indole-5-carboxylate;1,3-thiazole-2-carboxylic acid?

The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(1-benzhydrylazetidin-3-yl)piperazine;[4-(1-benzhydrylazetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-benzhydryl-3-methylazetidine;cis-(1R,2S)-N,2-dimethylcyclohexan-1-amine;methyl 1H-indole-5-carboxylate;1,3-thiazole-2-carboxylic acid is CC1CN(C(c2ccccc2)c2ccccc2)C1.CN[C@@H]1CCCC[C@@H]1C.COC(=O)c1ccc2[nH]ccc2c1.O=C(O)c1nccs1.O=C(c1nccs1)N1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1.O=C(c1nccs1)N1CCN(C2CNC2)CC1.c1ccc(C(c2ccccc2)N2CC(N3CCNCC3)C2)cc1.

What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(1-benzhydrylazetidin-3-yl)piperazine;[4-(1-benzhydrylazetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-benzhydryl-3-methylazetidine;cis-(1R,2S)-N,2-dimethylcyclohexan-1-amine;methyl 1H-indole-5-carboxylate;1,3-thiazole-2-carboxylic acid?

The InChIKey is BBVOCPWELCWVOM-KWJGURCISA-N. The full InChI is InChI=1S/C24H26N4OS.C20H25N3.C17H19N.C11H16N4OS.C10H9NO2.C8H17N.C4H3NO2S/c29-24(23-25-11-16-30-23)27-14-12-26(13-15-27)21-17-28(18-21)22(19-7-3-1-4-8-19)20-9-5-2-6-10-20;1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)23-15-19(16-23)22-13-11-21-12-14-22;1-14-12-18(13-14)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16;16-11(10-13-1-6-17-10)15-4-2-14(3-5-15)9-7-12-8-9;1-13-10(12)8-2-3-9-7(6-8)4-5-11-9;1-7-5-3-4-6-8(7)9-2;6-4(7)3-5-1-2-8-3/h1-11,16,21-22H,12-15,17-18H2;1-10,19-21H,11-16H2;2-11,14,17H,12-13H2,1H3;1,6,9,12H,2-5,7-8H2;2-6,11H,1H3;7-9H,3-6H2,1-2H3;1-2H,(H,6,7)/t;;;;;7-,8+;/m.....0./s1.

What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(1-benzhydrylazetidin-3-yl)piperazine;[4-(1-benzhydrylazetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-benzhydryl-3-methylazetidine;cis-(1R,2S)-N,2-dimethylcyclohexan-1-amine;methyl 1H-indole-5-carboxylate;1,3-thiazole-2-carboxylic acid?

[4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(1-benzhydrylazetidin-3-yl)piperazine;[4-(1-benzhydrylazetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-benzhydryl-3-methylazetidine;cis-(1R,2S)-N,2-dimethylcyclohexan-1-amine;methyl 1H-indole-5-carboxylate;1,3-thiazole-2-carboxylic acid has a molecular weight of 1647.25 g/mol, XLogP of 13.92, 17 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(azetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-(1-benzhydrylazetidin-3-yl)piperazine;[4-(1-benzhydrylazetidin-3-yl)piperazin-1-yl]-(1,3-thiazol-2-yl)methanone;1-benzhydryl-3-methylazetidine;cis-(1R,2S)-N,2-dimethylcyclohexan-1-amine;methyl 1H-indole-5-carboxylate;1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 157300480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).