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

C14H24N2OS — CID 131863001

IUPACN-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-methylbutanamide
SMILESCCC(C)C(=O)/N=c1\sc(C(C)(C)C)c(C)n1C
InChIInChI=1S/C14H24N2OS/c1-8-9(2)12(17)15-13-16(7)10(3)11(18-13)14(4,5)6/h9H,8H2,1-7H3/b15-13-
InChIKeyFIWNEBQKQKMPDS-SQFISAMPSA-N
MW268.43 g/mol
LogP3.17
Rot. Bonds2

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

N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-methylbutanamide (PubChem CID 131863001) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-methylbutanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-methylbutanamide
PubChem CID131863001
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-methylbutanamide
SMILESCCC(C)C(=O)/N=c1\sc(C(C)(C)C)c(C)n1C
InChIInChI=1S/C14H24N2OS/c1-8-9(2)12(17)15-13-16(7)10(3)11(18-13)14(4,5)6/h9H,8H2,1-7H3/b15-13-
InChIKeyFIWNEBQKQKMPDS-SQFISAMPSA-N
XLogP3.17
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.17
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)-2-methylbutanamide?
The IUPAC name of N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-methylbutanamide (CID 131863001) is N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-methylbutanamide.
What is the SMILES notation for N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-methylbutanamide?
The canonical SMILES for N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-methylbutanamide is CCC(C)C(=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)-2-methylbutanamide?
The InChIKey is FIWNEBQKQKMPDS-SQFISAMPSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-8-9(2)12(17)15-13-16(7)10(3)11(18-13)14(4,5)6/h9H,8H2,1-7H3/b15-13-.
What are the key properties of N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-methylbutanamide?
N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-2-methylbutanamide has a molecular weight of 268.43 g/mol, XLogP of 3.17, 2 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)-2-methylbutanamide is sourced from PubChem (CID 131863001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).