N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide

C18H14BrClN4O2S — CID 16897620

IUPACN-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C18H14BrClN4O2S/c1-10-15(16(25)22-14-4-2-3-11(19)9-14)27-18(21-10)24-17(26)23-13-7-5-12(20)6-8-13/h2-9H,1H3,(H,22,25)(H2,21,23,24,26)
InChIKeyFDFFAIGCSKEZCN-UHFFFAOYSA-N
MW465.76 g/mol
LogP5.76
Rot. Bonds4

About N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide

N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16897620) has the molecular formula C18H14BrClN4O2S and a molecular weight of 465.76 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16897620
Molecular FormulaC18H14BrClN4O2S
Molecular Weight465.76 g/mol
Exact Mass463.97
IUPAC NameN-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C18H14BrClN4O2S/c1-10-15(16(25)22-14-4-2-3-11(19)9-14)27-18(21-10)24-17(26)23-13-7-5-12(20)6-8-13/h2-9H,1H3,(H,22,25)(H2,21,23,24,26)
InChIKeyFDFFAIGCSKEZCN-UHFFFAOYSA-N
XLogP5.76
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.76
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897194
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
4-methyl-N-(4-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897185
methyl 4-[[2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 16897633
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide
CID 16897637
N-[(4-chlorophenyl)methyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897163
2-[(4-bromobenzoyl)amino]-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468187
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16839644
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 16897630
2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897465
2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53338422

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 16897620) is N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FDFFAIGCSKEZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN4O2S/c1-10-15(16(25)22-14-4-2-3-11(19)9-14)27-18(21-10)24-17(26)23-13-7-5-12(20)6-8-13/h2-9H,1H3,(H,22,25)(H2,21,23,24,26).
What are the key properties of N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 465.76 g/mol, XLogP of 5.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16897620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).