N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide

C30H23ClN2OS — CID 108748251

IUPACN-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C30H23ClN2OS/c31-25-15-11-24(12-16-25)30-33-28(20-35-30)23-13-17-26(18-14-23)32-29(34)19-27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,20,27H,19H2,(H,32,34)
InChIKeyLIBDHKRRPVBHIC-UHFFFAOYSA-N
MW495.05 g/mol
LogP8.29
Rot. Bonds7

About N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide

N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide (PubChem CID 108748251) has the molecular formula C30H23ClN2OS and a molecular weight of 495.05 g/mol. Its IUPAC name is N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide
PubChem CID108748251
Molecular FormulaC30H23ClN2OS
Molecular Weight495.05 g/mol
Exact Mass494.12
IUPAC NameN-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C30H23ClN2OS/c31-25-15-11-24(12-16-25)30-33-28(20-35-30)23-13-17-26(18-14-23)32-29(34)19-27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,20,27H,19H2,(H,32,34)
InChIKeyLIBDHKRRPVBHIC-UHFFFAOYSA-N
XLogP8.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.05
LogP ≤ 58.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748184
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]pentanamide
CID 108748145
3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 108811086
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3,4-trifluorobenzamide
CID 108748174
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
1-(3-chloro-4-methylphenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286290
1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea
CID 121080622
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-prop-2-enylthiourea
CID 108784177
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4020241

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide (CID 108748251) is N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide?
The InChIKey is LIBDHKRRPVBHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClN2OS/c31-25-15-11-24(12-16-25)30-33-28(20-35-30)23-13-17-26(18-14-23)32-29(34)19-27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,20,27H,19H2,(H,32,34).
What are the key properties of N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide?
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide has a molecular weight of 495.05 g/mol, XLogP of 8.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 108748251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).