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

C14H24N2OS — CID 131863000

IUPACN-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-methylbutanamide
SMILESCc1c(C(C)(C)C)s/c(=N\C(=O)CC(C)C)n1C
InChIInChI=1S/C14H24N2OS/c1-9(2)8-11(17)15-13-16(7)10(3)12(18-13)14(4,5)6/h9H,8H2,1-7H3/b15-13-
InChIKeyLMJKYJQGRHEHEP-SQFISAMPSA-N
MW268.43 g/mol
LogP3.17
Rot. Bonds2

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

N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-methylbutanamide (PubChem CID 131863000) 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)-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-methylbutanamide
PubChem CID131863000
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-methylbutanamide
SMILESCc1c(C(C)(C)C)s/c(=N\C(=O)CC(C)C)n1C
InChIInChI=1S/C14H24N2OS/c1-9(2)8-11(17)15-13-16(7)10(3)12(18-13)14(4,5)6/h9H,8H2,1-7H3/b15-13-
InChIKeyLMJKYJQGRHEHEP-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)-3-methylbutanamide?
The IUPAC name of N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-methylbutanamide (CID 131863000) is N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-methylbutanamide.
What is the SMILES notation for N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-methylbutanamide?
The canonical SMILES for N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-methylbutanamide is Cc1c(C(C)(C)C)s/c(=N\C(=O)CC(C)C)n1C.
What is the InChIKey of N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-methylbutanamide?
The InChIKey is LMJKYJQGRHEHEP-SQFISAMPSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-9(2)8-11(17)15-13-16(7)10(3)12(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)-3-methylbutanamide?
N-(5-tert-butyl-3,4-dimethyl-1,3-thiazol-2-ylidene)-3-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)-3-methylbutanamide is sourced from PubChem (CID 131863000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).