N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide

C21H17N3OS2 — CID 39765830

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide
SMILESO=C(CCSc1ccc2ccccc2n1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H17N3OS2/c25-19(24-21-23-18(14-27-21)15-6-2-1-3-7-15)12-13-26-20-11-10-16-8-4-5-9-17(16)22-20/h1-11,14H,12-13H2,(H,23,24,25)
InChIKeyZQLXKKPCWSWQSW-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.48
Rot. Bonds6

About N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide

N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide (PubChem CID 39765830) has the molecular formula C21H17N3OS2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide
PubChem CID39765830
Molecular FormulaC21H17N3OS2
Molecular Weight391.52 g/mol
Exact Mass391.08
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide
SMILESO=C(CCSc1ccc2ccccc2n1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H17N3OS2/c25-19(24-21-23-18(14-27-21)15-6-2-1-3-7-15)12-13-26-20-11-10-16-8-4-5-9-17(16)22-20/h1-11,14H,12-13H2,(H,23,24,25)
InChIKeyZQLXKKPCWSWQSW-UHFFFAOYSA-N
XLogP5.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304999
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylsulfanylpropanamide
CID 23833216
N-(4-phenyl-1,3-thiazol-2-yl)-3-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide
CID 39767170
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide
CID 4185251
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
CID 23889540
2-(4-chlorophenyl)sulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203551
S-[4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butyl] 2-methylpropanethioate
CID 163269958
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 23775081
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 23745934
N-(4-phenyl-1,3-thiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 1426864

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide (CID 39765830) is N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide is O=C(CCSc1ccc2ccccc2n1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide?
The InChIKey is ZQLXKKPCWSWQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS2/c25-19(24-21-23-18(14-27-21)15-6-2-1-3-7-15)12-13-26-20-11-10-16-8-4-5-9-17(16)22-20/h1-11,14H,12-13H2,(H,23,24,25).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide?
N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide has a molecular weight of 391.52 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-3-quinolin-2-ylsulfanylpropanamide is sourced from PubChem (CID 39765830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).