N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide

C22H21N3O2S — CID 94130735

IUPACN-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCCNC1=O)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H21N3O2S/c26-20-17(13-7-8-14-23-20)24-21(27)19-18(15-9-3-1-4-10-15)25-22(28-19)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,26)(H,24,27)/t17-/m1/s1
InChIKeyAIIUJKVRKSGSTE-QGZVFWFLSA-N
MW391.50 g/mol
LogP3.88
Rot. Bonds4

About N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide

N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide (PubChem CID 94130735) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
PubChem CID94130735
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCCNC1=O)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H21N3O2S/c26-20-17(13-7-8-14-23-20)24-21(27)19-18(15-9-3-1-4-10-15)25-22(28-19)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,26)(H,24,27)/t17-/m1/s1
InChIKeyAIIUJKVRKSGSTE-QGZVFWFLSA-N
XLogP3.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxoazepan-3-yl)-3-phenylthiophene-2-carboxamide
CID 51089156
N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 120557670
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
2-benzyl-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
CID 70718250
1-benzyl-3-(4-methoxyphenyl)-N-(2-oxoazepan-3-yl)pyrazole-4-carboxamide
CID 55933489
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide
CID 51943430
2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 94364000
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 51089154
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide
CID 107262114

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide (CID 94130735) is N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide is O=C(N[C@@H]1CCCCNC1=O)c1sc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The InChIKey is AIIUJKVRKSGSTE-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21N3O2S/c26-20-17(13-7-8-14-23-20)24-21(27)19-18(15-9-3-1-4-10-15)25-22(28-19)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,26)(H,24,27)/t17-/m1/s1.
What are the key properties of N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 94130735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).