2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide

C11H12BrN3O2S — CID 137390387

IUPAC2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2csc(Br)n2)no1
InChIInChI=1S/C11H12BrN3O2S/c1-11(2,3)7-4-8(15-17-7)14-9(16)6-5-18-10(12)13-6/h4-5H,1-3H3,(H,14,15,16)
InChIKeyFXNHKXSARZUTJK-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.44
Rot. Bonds2

About 2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide

2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 137390387) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is 2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID137390387
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC Name2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2csc(Br)n2)no1
InChIInChI=1S/C11H12BrN3O2S/c1-11(2,3)7-4-8(15-17-7)14-9(16)6-5-18-10(12)13-6/h4-5H,1-3H3,(H,14,15,16)
InChIKeyFXNHKXSARZUTJK-UHFFFAOYSA-N
XLogP3.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide
CID 137372326
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
CID 73051566
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide
CID 17173901
CID 58990227
CID 58990227
2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 164646931
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]thiadiazole-4-carboxamide
CID 59380993
5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 167799653
3-bromo-5-tert-butyl-1,2-oxazole
CID 59146011
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide
CID 59420530
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3705058

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide (CID 137390387) is 2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide is CC(C)(C)c1cc(NC(=O)c2csc(Br)n2)no1.
What is the InChIKey of 2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is FXNHKXSARZUTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-11(2,3)7-4-8(15-17-7)14-9(16)6-5-18-10(12)13-6/h4-5H,1-3H3,(H,14,15,16).
What are the key properties of 2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide?
2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 330.21 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137390387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).