2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

C21H25N3O2S — CID 87544054

IUPAC2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C2CCCCC2)sc1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C21H25N3O2S/c1-13-18(20(26)23-17-12-11-14-7-5-6-10-16(14)17)27-21(22-13)24-19(25)15-8-3-2-4-9-15/h5-7,10,15,17H,2-4,8-9,11-12H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyQDCZWOJDTGTVAX-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.39
Rot. Bonds4

About 2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 87544054) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID87544054
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C2CCCCC2)sc1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C21H25N3O2S/c1-13-18(20(26)23-17-12-11-14-7-5-6-10-16(14)17)27-21(22-13)24-19(25)15-8-3-2-4-9-15/h5-7,10,15,17H,2-4,8-9,11-12H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyQDCZWOJDTGTVAX-UHFFFAOYSA-N
XLogP4.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87543958
N-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 87544536
2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87544471
2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87543850
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468167
4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 7668917
2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468236
5-(cyclohexanecarbonylamino)-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-3-carboxamide
CID 75767268
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794608
5-(cyclopentanecarbonylamino)-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-3-carboxamide
CID 75767261
ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 86955302

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 87544054) is 2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)C2CCCCC2)sc1C(=O)NC1CCc2ccccc21.
What is the InChIKey of 2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QDCZWOJDTGTVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-13-18(20(26)23-17-12-11-14-7-5-6-10-16(14)17)27-21(22-13)24-19(25)15-8-3-2-4-9-15/h5-7,10,15,17H,2-4,8-9,11-12H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 87544054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).