2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide

C17H22ClN3O2S — CID 9174381

IUPAC2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
SMILESCOc1ccc(-c2csc(CN(C)CC(=O)NC(C)C)n2)cc1Cl
InChIInChI=1S/C17H22ClN3O2S/c1-11(2)19-16(22)8-21(3)9-17-20-14(10-24-17)12-5-6-15(23-4)13(18)7-12/h5-7,10-11H,8-9H2,1-4H3,(H,19,22)
InChIKeyONJXWWKEHQUGND-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.43
Rot. Bonds7

About 2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide

2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 9174381) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
PubChem CID9174381
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
SMILESCOc1ccc(-c2csc(CN(C)CC(=O)NC(C)C)n2)cc1Cl
InChIInChI=1S/C17H22ClN3O2S/c1-11(2)19-16(22)8-21(3)9-17-20-14(10-24-17)12-5-6-15(23-4)13(18)7-12/h5-7,10-11H,8-9H2,1-4H3,(H,19,22)
InChIKeyONJXWWKEHQUGND-UHFFFAOYSA-N
XLogP3.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174271
2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174299
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3299476
(2S)-2-amino-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119272131
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16562173
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 5162652
2-[[4-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174239
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 100797085
2-(2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)anilino)-N-propan-2-ylacetamide
CID 46137583
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 16562235
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41287677

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide (CID 9174381) is 2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide is COc1ccc(-c2csc(CN(C)CC(=O)NC(C)C)n2)cc1Cl.
What is the InChIKey of 2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is ONJXWWKEHQUGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c1-11(2)19-16(22)8-21(3)9-17-20-14(10-24-17)12-5-6-15(23-4)13(18)7-12/h5-7,10-11H,8-9H2,1-4H3,(H,19,22).
What are the key properties of 2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide?
2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 367.90 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9174381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).