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

C18H15ClN4O2S — CID 4799137

IUPACN-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)Nc3ccccc3Cl)n2)cc1
InChIInChI=1S/C18H15ClN4O2S/c1-11(24)20-13-8-6-12(7-9-13)16-10-26-18(22-16)23-17(25)21-15-5-3-2-4-14(15)19/h2-10H,1H3,(H,20,24)(H2,21,22,23,25)
InChIKeyLTHKZHFZMRPXCX-UHFFFAOYSA-N
MW386.86 g/mol
LogP5.07
Rot. Bonds4

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

N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 4799137) has the molecular formula C18H15ClN4O2S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID4799137
Molecular FormulaC18H15ClN4O2S
Molecular Weight386.86 g/mol
Exact Mass386.06
IUPAC NameN-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)Nc3ccccc3Cl)n2)cc1
InChIInChI=1S/C18H15ClN4O2S/c1-11(24)20-13-8-6-12(7-9-13)16-10-26-18(22-16)23-17(25)21-15-5-3-2-4-14(15)19/h2-10H,1H3,(H,20,24)(H2,21,22,23,25)
InChIKeyLTHKZHFZMRPXCX-UHFFFAOYSA-N
XLogP5.07
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.86
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
1-(2-chlorophenyl)-3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]urea
CID 121080465
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide
CID 8502204
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea
CID 121080352
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-(2-chlorophenyl)furan-2-carboxamide
CID 24568506
methyl 2-[[4-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-thiazole-2-carbonyl]amino]-3-methylbutanoate
CID 52934823
1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea
CID 121080622

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide (CID 4799137) is N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc(NC(=O)Nc3ccccc3Cl)n2)cc1.
What is the InChIKey of N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is LTHKZHFZMRPXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2S/c1-11(24)20-13-8-6-12(7-9-13)16-10-26-18(22-16)23-17(25)21-15-5-3-2-4-14(15)19/h2-10H,1H3,(H,20,24)(H2,21,22,23,25).
What are the key properties of N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 386.86 g/mol, XLogP of 5.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 4799137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).