N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide

C14H15ClN2OS2 — CID 24645705

IUPACN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H15ClN2OS2/c1-19-7-6-13(18)17-14-16-9-12(20-14)8-10-2-4-11(15)5-3-10/h2-5,9H,6-8H2,1H3,(H,16,17,18)
InChIKeyLBBUEJGFVQWYQL-UHFFFAOYSA-N
MW326.87 g/mol
LogP4.08
Rot. Bonds6

About N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide (PubChem CID 24645705) has the molecular formula C14H15ClN2OS2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
PubChem CID24645705
Molecular FormulaC14H15ClN2OS2
Molecular Weight326.87 g/mol
Exact Mass326.03
IUPAC NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H15ClN2OS2/c1-19-7-6-13(18)17-14-16-9-12(20-14)8-10-2-4-11(15)5-3-10/h2-5,9H,6-8H2,1H3,(H,16,17,18)
InChIKeyLBBUEJGFVQWYQL-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 18164840
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 35955297
4-(4-chlorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxobutanamide
CID 55384945
2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23854688
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17034977
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2239702
N-[3-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide
CID 26708433
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 3925208
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 18209053
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-4-methylsulfanylbutanamide
CID 24509470
4-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 27407172
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 2130446

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide (CID 24645705) is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide is CSCCC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide?
The InChIKey is LBBUEJGFVQWYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS2/c1-19-7-6-13(18)17-14-16-9-12(20-14)8-10-2-4-11(15)5-3-10/h2-5,9H,6-8H2,1H3,(H,16,17,18).
What are the key properties of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide?
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide has a molecular weight of 326.87 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 24645705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).