[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone

C18H24N4OS — CID 70770639

IUPAC[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
SMILESCNc1nc(C)c(C(=O)N2CCCN(c3ccccc3C)CC2)s1
InChIInChI=1S/C18H24N4OS/c1-13-7-4-5-8-15(13)21-9-6-10-22(12-11-21)17(23)16-14(2)20-18(19-3)24-16/h4-5,7-8H,6,9-12H2,1-3H3,(H,19,20)
InChIKeyXVRNVECBMOBOKY-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.15
Rot. Bonds3

About [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone

[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone (PubChem CID 70770639) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
PubChem CID70770639
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
SMILESCNc1nc(C)c(C(=O)N2CCCN(c3ccccc3C)CC2)s1
InChIInChI=1S/C18H24N4OS/c1-13-7-4-5-8-15(13)21-9-6-10-22(12-11-21)17(23)16-14(2)20-18(19-3)24-16/h4-5,7-8H,6,9-12H2,1-3H3,(H,19,20)
InChIKeyXVRNVECBMOBOKY-UHFFFAOYSA-N
XLogP3.15
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110386308
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72844234
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97150010
1-(4-chlorophenyl)-3-[5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 16897564
[4-(2-methylphenyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 70731187
2-[1-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]benzoic acid
CID 56912530
[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 70711688
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70762769
(3-bromothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 60778169
(2-butyl-4-methyl-1,3-thiazol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 55684389
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080857
4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one
CID 70772394

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone (CID 70770639) is [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone is CNc1nc(C)c(C(=O)N2CCCN(c3ccccc3C)CC2)s1.
What is the InChIKey of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is XVRNVECBMOBOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-7-4-5-8-15(13)21-9-6-10-22(12-11-21)17(23)16-14(2)20-18(19-3)24-16/h4-5,7-8H,6,9-12H2,1-3H3,(H,19,20).
What are the key properties of [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone?
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 344.48 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 70770639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).