3-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide

C16H19BrN2OS — CID 59866041

IUPAC3-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide
SMILESCc1c(C(C)(C)C)s/c(=N/C(=O)c2cccc(Br)c2)n1C
InChIInChI=1S/C16H19BrN2OS/c1-10-13(16(2,3)4)21-15(19(10)5)18-14(20)11-7-6-8-12(17)9-11/h6-9H,1-5H3/b18-15+
InChIKeyUNGYKHRAWCUFTF-OBGWFSINSA-N
MW367.31 g/mol
LogP4.20
Rot. Bonds1

About 3-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide

3-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 59866041) has the molecular formula C16H19BrN2OS and a molecular weight of 367.31 g/mol. Its IUPAC name is 3-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID59866041
Molecular FormulaC16H19BrN2OS
Molecular Weight367.31 g/mol
Exact Mass366.04
IUPAC Name3-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide
SMILESCc1c(C(C)(C)C)s/c(=N/C(=O)c2cccc(Br)c2)n1C
InChIInChI=1S/C16H19BrN2OS/c1-10-13(16(2,3)4)21-15(19(10)5)18-14(20)11-7-6-8-12(17)9-11/h6-9H,1-5H3/b18-15+
InChIKeyUNGYKHRAWCUFTF-OBGWFSINSA-N
XLogP4.20
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 3-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide (CID 59866041) is 3-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 3-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 3-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide is Cc1c(C(C)(C)C)s/c(=N/C(=O)c2cccc(Br)c2)n1C.
What is the InChIKey of 3-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is UNGYKHRAWCUFTF-OBGWFSINSA-N. The full InChI is InChI=1S/C16H19BrN2OS/c1-10-13(16(2,3)4)21-15(19(10)5)18-14(20)11-7-6-8-12(17)9-11/h6-9H,1-5H3/b18-15+.
What are the key properties of 3-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide?
3-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 367.31 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 59866041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).