2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide

C15H17BrN2O2S — CID 42995916

IUPAC2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C15H17BrN2O2S/c1-15(2,3)12-8-21-14(17-12)18-13(19)10-7-9(20-4)5-6-11(10)16/h5-8H,1-4H3,(H,17,18,19)
InChIKeyKMCJFCMAHWPCRO-UHFFFAOYSA-N
MW369.28 g/mol
LogP4.46
Rot. Bonds3

About 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide

2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide (PubChem CID 42995916) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide
PubChem CID42995916
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C15H17BrN2O2S/c1-15(2,3)12-8-21-14(17-12)18-13(19)10-7-9(20-4)5-6-11(10)16/h5-8H,1-4H3,(H,17,18,19)
InChIKeyKMCJFCMAHWPCRO-UHFFFAOYSA-N
XLogP4.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide
CID 32995528
ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 51146296
4-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylsulfonylbenzamide
CID 86875148
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 3372647
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 60654609
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 59232774
2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
CID 104856860
2-bromo-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-methoxybenzamide
CID 121081444
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872729
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide
CID 62000856
2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 26068299

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide (CID 42995916) is 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)Nc2nc(C(C)(C)C)cs2)c1.
What is the InChIKey of 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide?
The InChIKey is KMCJFCMAHWPCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-15(2,3)12-8-21-14(17-12)18-13(19)10-7-9(20-4)5-6-11(10)16/h5-8H,1-4H3,(H,17,18,19).
What are the key properties of 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide?
2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide has a molecular weight of 369.28 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide is sourced from PubChem (CID 42995916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).