2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide

C14H11Br2ClN2OS — CID 51355716

IUPAC2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide
SMILESC=CCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br
InChIInChI=1S/C14H11Br2ClN2OS/c1-2-7-18-13(20)11-10(12(15)16)19-14(21-11)8-3-5-9(17)6-4-8/h2-6,12H,1,7H2,(H,18,20)
InChIKeyKUGSHLXNILNELU-UHFFFAOYSA-N
MW450.58 g/mol
LogP5.17
Rot. Bonds5

About 2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide

2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide (PubChem CID 51355716) has the molecular formula C14H11Br2ClN2OS and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide
PubChem CID51355716
Molecular FormulaC14H11Br2ClN2OS
Molecular Weight450.58 g/mol
Exact Mass447.86
IUPAC Name2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide
SMILESC=CCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br
InChIInChI=1S/C14H11Br2ClN2OS/c1-2-7-18-13(20)11-10(12(15)16)19-14(21-11)8-3-5-9(17)6-4-8/h2-6,12H,1,7H2,(H,18,20)
InChIKeyKUGSHLXNILNELU-UHFFFAOYSA-N
XLogP5.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 2728459
2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 2743521
N'5-isobutyryl-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 2743523
N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 1483672
2-Bromo-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-ethanone
CID 2794647
N-(2-(2-(4-chlorophenyl)-1,3-thiazol-4-yl)ethyl)butanamide
CID 7518316
2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 1483667
N-allyl-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 3795905
N-benzyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 695120
N-cyclopentyl-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 9123866
2-(4-chlorophenyl)-4-(dibromomethyl)-N-methoxy-1,3-thiazole-5-carboxamide
CID 51355445
2-(4-Chlorophenyl)-4-(dibromomethyl)-1,3-thiazole-5-carboxamide
CID 51355446

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide (CID 51355716) is 2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide is C=CCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br.
What is the InChIKey of 2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The InChIKey is KUGSHLXNILNELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClN2OS/c1-2-7-18-13(20)11-10(12(15)16)19-14(21-11)8-3-5-9(17)6-4-8/h2-6,12H,1,7H2,(H,18,20).
What are the key properties of 2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(dibromomethyl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51355716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).