1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C14H13BrN2OS — CID 36600011

IUPAC1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1csc(NC(=O)C2(c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C14H13BrN2OS/c1-9-8-19-13(16-9)17-12(18)14(6-7-14)10-2-4-11(15)5-3-10/h2-5,8H,6-7H2,1H3,(H,16,17,18)
InChIKeyPRMAXRQSQCGSRO-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.88
Rot. Bonds3

About 1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 36600011) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID36600011
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1csc(NC(=O)C2(c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C14H13BrN2OS/c1-9-8-19-13(16-9)17-12(18)14(6-7-14)10-2-4-11(15)5-3-10/h2-5,8H,6-7H2,1H3,(H,16,17,18)
InChIKeyPRMAXRQSQCGSRO-UHFFFAOYSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 2521715
2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
1-(4-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33284025
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
1-(4-aminophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 115913568
N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide
CID 71946726
1-(4-aminophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 115913567
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide
CID 36658872
1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 56817614
N-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-yloxane-4-carboxamide
CID 7243534

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 36600011) is 1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is Cc1csc(NC(=O)C2(c3ccc(Br)cc3)CC2)n1.
What is the InChIKey of 1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is PRMAXRQSQCGSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-9-8-19-13(16-9)17-12(18)14(6-7-14)10-2-4-11(15)5-3-10/h2-5,8H,6-7H2,1H3,(H,16,17,18).
What are the key properties of 1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 337.24 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 36600011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).