2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide

C7H7BrN2OS — CID 67019715

IUPAC2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(Br)s1
InChIInChI=1S/C7H7BrN2OS/c8-7-9-3-5(12-7)6(11)10-4-1-2-4/h3-4H,1-2H2,(H,10,11)
InChIKeyMWMVOMJINSRBET-UHFFFAOYSA-N
MW247.12 g/mol
LogP1.80
Rot. Bonds2

About 2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide

2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide (PubChem CID 67019715) has the molecular formula C7H7BrN2OS and a molecular weight of 247.12 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide
PubChem CID67019715
Molecular FormulaC7H7BrN2OS
Molecular Weight247.12 g/mol
Exact Mass245.95
IUPAC Name2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(Br)s1
InChIInChI=1S/C7H7BrN2OS/c8-7-9-3-5(12-7)6(11)10-4-1-2-4/h3-4H,1-2H2,(H,10,11)
InChIKeyMWMVOMJINSRBET-UHFFFAOYSA-N
XLogP1.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
CID 58786259
5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid
CID 130505258
N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119479154
4-bromo-N-cyclopropylthiophene-2-carboxamide
CID 110763428
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111118283
N-(4-aminocyclohexyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 119477790
N-cyclopropyl-1,2-thiazole-5-carboxamide
CID 110692070
4-bromo-N-cyclopentylthiophene-2-carboxamide
CID 110763431
2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide
CID 165118178
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524586
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide (CID 67019715) is 2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide is O=C(NC1CC1)c1cnc(Br)s1.
What is the InChIKey of 2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide?
The InChIKey is MWMVOMJINSRBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2OS/c8-7-9-3-5(12-7)6(11)10-4-1-2-4/h3-4H,1-2H2,(H,10,11).
What are the key properties of 2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide?
2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide has a molecular weight of 247.12 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 67019715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).