N-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide

C17H14ClN3OS2 — CID 10474627

IUPACN-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ncc(-c2ccncc2)s1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3OS2/c18-13-2-1-3-14(8-13)21-16(22)10-23-11-17-20-9-15(24-17)12-4-6-19-7-5-12/h1-9H,10-11H2,(H,21,22)
InChIKeyZEGVRMVCVZXLMP-UHFFFAOYSA-N
MW375.91 g/mol
LogP4.73
Rot. Bonds6

About N-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide

N-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide (PubChem CID 10474627) has the molecular formula C17H14ClN3OS2 and a molecular weight of 375.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide
PubChem CID10474627
Molecular FormulaC17H14ClN3OS2
Molecular Weight375.91 g/mol
Exact Mass375.03
IUPAC NameN-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ncc(-c2ccncc2)s1)Nc1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3OS2/c18-13-2-1-3-14(8-13)21-16(22)10-23-11-17-20-9-15(24-17)12-4-6-19-7-5-12/h1-9H,10-11H2,(H,21,22)
InChIKeyZEGVRMVCVZXLMP-UHFFFAOYSA-N
XLogP4.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.91
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 27700031
N-(3-chlorophenyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
CID 7250379
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide
CID 115917971
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60629859
N-(3-chlorophenyl)-2-(2-cyanoethylsulfanyl)acetamide
CID 82181411
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)acetamide
CID 18269298
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide
CID 951606
2-[2-[2-[(3-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 25103982
2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 40713437
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide (CID 10474627) is N-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide is O=C(CSCc1ncc(-c2ccncc2)s1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide?
The InChIKey is ZEGVRMVCVZXLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS2/c18-13-2-1-3-14(8-13)21-16(22)10-23-11-17-20-9-15(24-17)12-4-6-19-7-5-12/h1-9H,10-11H2,(H,21,22).
What are the key properties of N-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide?
N-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide has a molecular weight of 375.91 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 10474627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).