5-tert-butyl-1,3-thiazole-2-carboxamide

C8H12N2OS — CID 19786350

IUPAC5-tert-butyl-1,3-thiazole-2-carboxamide
SMILESCC(C)(C)c1cnc(C(N)=O)s1
InChIInChI=1S/C8H12N2OS/c1-8(2,3)5-4-10-7(12-5)6(9)11/h4H,1-3H3,(H2,9,11)
InChIKeyNTWGHZMDNORRGT-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.54
Rot. Bonds1

About 5-tert-butyl-1,3-thiazole-2-carboxamide

5-tert-butyl-1,3-thiazole-2-carboxamide (PubChem CID 19786350) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-tert-butyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-1,3-thiazole-2-carboxamide
PubChem CID19786350
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-tert-butyl-1,3-thiazole-2-carboxamide
SMILESCC(C)(C)c1cnc(C(N)=O)s1
InChIInChI=1S/C8H12N2OS/c1-8(2,3)5-4-10-7(12-5)6(9)11/h4H,1-3H3,(H2,9,11)
InChIKeyNTWGHZMDNORRGT-UHFFFAOYSA-N
XLogP1.54
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-tert-butyl-1,3-thiazole-2-carboxamide (CID 19786350) is 5-tert-butyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-1,3-thiazole-2-carboxamide is CC(C)(C)c1cnc(C(N)=O)s1.
What is the InChIKey of 5-tert-butyl-1,3-thiazole-2-carboxamide?
The InChIKey is NTWGHZMDNORRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-8(2,3)5-4-10-7(12-5)6(9)11/h4H,1-3H3,(H2,9,11).
What are the key properties of 5-tert-butyl-1,3-thiazole-2-carboxamide?
5-tert-butyl-1,3-thiazole-2-carboxamide has a molecular weight of 184.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 19786350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).