N-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide

C19H16BrClN4O2S — CID 27454039

IUPACN-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
SMILESO=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1cccc(Br)c1
InChIInChI=1S/C19H16BrClN4O2S/c20-12-3-1-5-14(9-12)22-17(26)8-7-16-11-28-19(24-16)25-18(27)23-15-6-2-4-13(21)10-15/h1-6,9-11H,7-8H2,(H,22,26)(H2,23,24,25,27)
InChIKeyQSIHBUHRQZUNRT-UHFFFAOYSA-N
MW479.79 g/mol
LogP5.77
Rot. Bonds6

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

N-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide (PubChem CID 27454039) has the molecular formula C19H16BrClN4O2S and a molecular weight of 479.79 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
PubChem CID27454039
Molecular FormulaC19H16BrClN4O2S
Molecular Weight479.79 g/mol
Exact Mass477.99
IUPAC NameN-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
SMILESO=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1cccc(Br)c1
InChIInChI=1S/C19H16BrClN4O2S/c20-12-3-1-5-14(9-12)22-17(26)8-7-16-11-28-19(24-16)25-18(27)23-15-6-2-4-13(21)10-15/h1-6,9-11H,7-8H2,(H,22,26)(H2,23,24,25,27)
InChIKeyQSIHBUHRQZUNRT-UHFFFAOYSA-N
XLogP5.77
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.79
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide
CID 27454022
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 27453922
N-(3-chloro-4-fluorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide
CID 27454084
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 27377304
ethyl 4-[3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 27454070
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 27377318
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide
CID 27454132
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 27453913
N-(4-bromo-3-methylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453484
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 26841689
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 18567623

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide (CID 27454039) is N-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide is O=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide?
The InChIKey is QSIHBUHRQZUNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN4O2S/c20-12-3-1-5-14(9-12)22-17(26)8-7-16-11-28-19(24-16)25-18(27)23-15-6-2-4-13(21)10-15/h1-6,9-11H,7-8H2,(H,22,26)(H2,23,24,25,27).
What are the key properties of N-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide?
N-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide has a molecular weight of 479.79 g/mol, XLogP of 5.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 27454039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).