N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide

C19H18ClN3O2S — CID 110389576

IUPACN-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(CCc3ccccn3)n2)cc1Cl
InChIInChI=1S/C19H18ClN3O2S/c1-25-17-7-5-14(10-16(17)20)22-18(24)11-15-12-26-19(23-15)8-6-13-4-2-3-9-21-13/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,22,24)
InChIKeyUTIUBUGLLICTPV-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.17
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110389576) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110389576
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(CCc3ccccn3)n2)cc1Cl
InChIInChI=1S/C19H18ClN3O2S/c1-25-17-7-5-14(10-16(17)20)22-18(24)11-15-12-26-19(23-15)8-6-13-4-2-3-9-21-13/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,22,24)
InChIKeyUTIUBUGLLICTPV-UHFFFAOYSA-N
XLogP4.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389581
N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389584
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389528
N-(6-methoxynaphthalen-2-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 166197937
N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329818
N-tert-butyl-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389545
N-(2,4-dimethylphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389560
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 43320057
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 39896236
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide (CID 110389576) is N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide is COc1ccc(NC(=O)Cc2csc(CCc3ccccn3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is UTIUBUGLLICTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-25-17-7-5-14(10-16(17)20)22-18(24)11-15-12-26-19(23-15)8-6-13-4-2-3-9-21-13/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 387.89 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110389576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).