N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide

C17H13Cl2N3OS2 — CID 23886661

IUPACN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C17H13Cl2N3OS2/c1-10(25-15-4-2-3-7-20-15)16(23)22-17-21-14(9-24-17)12-6-5-11(18)8-13(12)19/h2-10H,1H3,(H,21,22,23)
InChIKeySJHBMCUJQQTHLP-UHFFFAOYSA-N
MW410.35 g/mol
LogP5.63
Rot. Bonds5

About N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 23886661) has the molecular formula C17H13Cl2N3OS2 and a molecular weight of 410.35 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide
PubChem CID23886661
Molecular FormulaC17H13Cl2N3OS2
Molecular Weight410.35 g/mol
Exact Mass408.99
IUPAC NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C17H13Cl2N3OS2/c1-10(25-15-4-2-3-7-20-15)16(23)22-17-21-14(9-24-17)12-6-5-11(18)8-13(12)19/h2-10H,1H3,(H,21,22,23)
InChIKeySJHBMCUJQQTHLP-UHFFFAOYSA-N
XLogP5.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.35
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23998455
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 23743440
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
N-[3-[1-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 18900429
2,3,4,5-tetrachloro-6-[[4-[1-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 19713067
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304865
N-[3-[1-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide
CID 18899997
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38904720
N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 17404608
2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4674763
2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23998428
2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23772531

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide (CID 23886661) is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide is CC(Sc1ccccn1)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is SJHBMCUJQQTHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS2/c1-10(25-15-4-2-3-7-20-15)16(23)22-17-21-14(9-24-17)12-6-5-11(18)8-13(12)19/h2-10H,1H3,(H,21,22,23).
What are the key properties of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide?
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 410.35 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 23886661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).