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

C11H18N2OS — CID 2304054

IUPACN-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)acetamide
SMILESCC(=O)/N=c1\sc(C(C)(C)C)c(C)n1C
InChIInChI=1S/C11H18N2OS/c1-7-9(11(3,4)5)15-10(13(7)6)12-8(2)14/h1-6H3/b12-10-
InChIKeyQNLZMFAQVAKRHZ-BENRWUELSA-N
MW226.34 g/mol
LogP2.14
Rot. Bonds

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

N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)acetamide (PubChem CID 2304054) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)acetamide
PubChem CID2304054
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)acetamide
SMILESCC(=O)/N=c1\sc(C(C)(C)C)c(C)n1C
InChIInChI=1S/C11H18N2OS/c1-7-9(11(3,4)5)15-10(13(7)6)12-8(2)14/h1-6H3/b12-10-
InChIKeyQNLZMFAQVAKRHZ-BENRWUELSA-N
XLogP2.14
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)acetamide?
The IUPAC name of N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)acetamide (CID 2304054) is N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)acetamide.
What is the SMILES notation for N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)acetamide?
The canonical SMILES for N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)acetamide is CC(=O)/N=c1\sc(C(C)(C)C)c(C)n1C.
What is the InChIKey of N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)acetamide?
The InChIKey is QNLZMFAQVAKRHZ-BENRWUELSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7-9(11(3,4)5)15-10(13(7)6)12-8(2)14/h1-6H3/b12-10-.
What are the key properties of N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)acetamide?
N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)acetamide has a molecular weight of 226.34 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)acetamide is sourced from PubChem (CID 2304054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).