2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide

C14H12BrN3O2S — CID 78847761

IUPAC2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)C2(c3cccc(Br)c3)CC2)s1
InChIInChI=1S/C14H12BrN3O2S/c15-9-3-1-2-8(6-9)14(4-5-14)12(20)18-13-17-7-10(21-13)11(16)19/h1-3,6-7H,4-5H2,(H2,16,19)(H,17,18,20)
InChIKeyMFGVRDBERNKKTP-UHFFFAOYSA-N
MW366.24 g/mol
LogP2.67
Rot. Bonds4

About 2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide

2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 78847761) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is 2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID78847761
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC Name2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)C2(c3cccc(Br)c3)CC2)s1
InChIInChI=1S/C14H12BrN3O2S/c15-9-3-1-2-8(6-9)14(4-5-14)12(20)18-13-17-7-10(21-13)11(16)19/h1-3,6-7H,4-5H2,(H2,16,19)(H,17,18,20)
InChIKeyMFGVRDBERNKKTP-UHFFFAOYSA-N
XLogP2.67
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 55557062
1-(4-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33284025
2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide
CID 154852433
1-(3-bromophenyl)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 55556444
1-(3-bromophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134062088
2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78884843
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
2-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide
CID 30094719
1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 55624123
2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 78852049
1-(1,3-benzodioxol-5-yl)-N-[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 58609757
2-[4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696186

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide (CID 78847761) is 2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)C2(c3cccc(Br)c3)CC2)s1.
What is the InChIKey of 2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is MFGVRDBERNKKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c15-9-3-1-2-8(6-9)14(4-5-14)12(20)18-13-17-7-10(21-13)11(16)19/h1-3,6-7H,4-5H2,(H2,16,19)(H,17,18,20).
What are the key properties of 2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide?
2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 366.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78847761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).