N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide

C12H18N2OS — CID 1244149

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2CCC2)n1
InChIInChI=1S/C12H18N2OS/c1-12(2,3)9-7-16-11(13-9)14-10(15)8-5-4-6-8/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeySLJWJTZPWRGGKR-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.18
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide (PubChem CID 1244149) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide
PubChem CID1244149
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2CCC2)n1
InChIInChI=1S/C12H18N2OS/c1-12(2,3)9-7-16-11(13-9)14-10(15)8-5-4-6-8/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeySLJWJTZPWRGGKR-UHFFFAOYSA-N
XLogP3.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide (CID 1244149) is N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide is CC(C)(C)c1csc(NC(=O)C2CCC2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide?
The InChIKey is SLJWJTZPWRGGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-12(2,3)9-7-16-11(13-9)14-10(15)8-5-4-6-8/h7-8H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide has a molecular weight of 238.36 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide is sourced from PubChem (CID 1244149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).