3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide

C14H13BrN2O2S — CID 32866726

IUPAC3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1Br
InChIInChI=1S/C14H13BrN2O2S/c1-19-12-5-4-9(6-10(12)15)13(18)17-14-16-11(7-20-14)8-2-3-8/h4-8H,2-3H2,1H3,(H,16,17,18)
InChIKeyMRPLZKSYZPSBBR-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.04
Rot. Bonds4

About 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide

3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide (PubChem CID 32866726) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide
PubChem CID32866726
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1Br
InChIInChI=1S/C14H13BrN2O2S/c1-19-12-5-4-9(6-10(12)15)13(18)17-14-16-11(7-20-14)8-2-3-8/h4-8H,2-3H2,1H3,(H,16,17,18)
InChIKeyMRPLZKSYZPSBBR-UHFFFAOYSA-N
XLogP4.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide
CID 112705830
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide
CID 32863513
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 107980376
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 32864791
3-bromo-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 30190736
3-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 30190739
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide
CID 104852540
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 32865339
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide
CID 63718087
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61479305
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3-diethylquinoxaline-6-carboxamide
CID 30858486

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide (CID 32866726) is 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1Br.
What is the InChIKey of 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide?
The InChIKey is MRPLZKSYZPSBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-19-12-5-4-9(6-10(12)15)13(18)17-14-16-11(7-20-14)8-2-3-8/h4-8H,2-3H2,1H3,(H,16,17,18).
What are the key properties of 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide?
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide has a molecular weight of 353.24 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 32866726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).