N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide

C19H22ClN3O2S — CID 33293472

IUPACN-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1cccc(Cc2cnc(NC(=O)CN3CCCCCC3=O)s2)c1Cl
InChIInChI=1S/C19H22ClN3O2S/c1-13-6-5-7-14(18(13)20)10-15-11-21-19(26-15)22-16(24)12-23-9-4-2-3-8-17(23)25/h5-7,11H,2-4,8-10,12H2,1H3,(H,21,22,24)
InChIKeyNQKDWIINBMNBGU-UHFFFAOYSA-N
MW391.92 g/mol
LogP4.04
Rot. Bonds5

About N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide

N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 33293472) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID33293472
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC NameN-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1cccc(Cc2cnc(NC(=O)CN3CCCCCC3=O)s2)c1Cl
InChIInChI=1S/C19H22ClN3O2S/c1-13-6-5-7-14(18(13)20)10-15-11-21-19(26-15)22-16(24)12-23-9-4-2-3-8-17(23)25/h5-7,11H,2-4,8-10,12H2,1H3,(H,21,22,24)
InChIKeyNQKDWIINBMNBGU-UHFFFAOYSA-N
XLogP4.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78869515
N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 33293901
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869353
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034757
1-butanoyl-N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55871777
N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55821446
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 7454388
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46671691
N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43376211
5-chloro-N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 33293882
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 112838178
N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 33292643

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide (CID 33293472) is N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide is Cc1cccc(Cc2cnc(NC(=O)CN3CCCCCC3=O)s2)c1Cl.
What is the InChIKey of N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is NQKDWIINBMNBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-13-6-5-7-14(18(13)20)10-15-11-21-19(26-15)22-16(24)12-23-9-4-2-3-8-17(23)25/h5-7,11H,2-4,8-10,12H2,1H3,(H,21,22,24).
What are the key properties of N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide?
N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 391.92 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 33293472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).