N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide

C20H19ClN2OS — CID 18827810

IUPACN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCc1ccc(Cc2cnc(NC(=O)CCc3ccccc3)s2)cc1Cl
InChIInChI=1S/C20H19ClN2OS/c1-14-7-8-16(12-18(14)21)11-17-13-22-20(25-17)23-19(24)10-9-15-5-3-2-4-6-15/h2-8,12-13H,9-11H2,1H3,(H,22,23,24)
InChIKeyMQECADVWFDQYOT-UHFFFAOYSA-N
MW370.91 g/mol
LogP5.27
Rot. Bonds6

About N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide

N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide (PubChem CID 18827810) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
PubChem CID18827810
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC NameN-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCc1ccc(Cc2cnc(NC(=O)CCc3ccccc3)s2)cc1Cl
InChIInChI=1S/C20H19ClN2OS/c1-14-7-8-16(12-18(14)21)11-17-13-22-20(25-17)23-19(24)10-9-15-5-3-2-4-6-15/h2-8,12-13H,9-11H2,1H3,(H,22,23,24)
InChIKeyMQECADVWFDQYOT-UHFFFAOYSA-N
XLogP5.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 24555170
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17034914
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 18827803
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 6488306
benzyl [2-methyl-4-[[2-(3-phenylpropanoylamino)-1,3-thiazol-5-yl]methyl]phenyl] carbonate
CID 88589491
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 30685327
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide
CID 46479822
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide
CID 60509519
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide
CID 88589486
3-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 88549049
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55823886
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166427325

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide (CID 18827810) is N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide is Cc1ccc(Cc2cnc(NC(=O)CCc3ccccc3)s2)cc1Cl.
What is the InChIKey of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide?
The InChIKey is MQECADVWFDQYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2OS/c1-14-7-8-16(12-18(14)21)11-17-13-22-20(25-17)23-19(24)10-9-15-5-3-2-4-6-15/h2-8,12-13H,9-11H2,1H3,(H,22,23,24).
What are the key properties of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide?
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide has a molecular weight of 370.91 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 18827810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).