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

C9H14N2OS — CID 90191346

IUPAC5-tert-butyl-N-methyl-1,3-thiazole-2-carboxamide
SMILESCNC(=O)c1ncc(C(C)(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-9(2,3)6-5-11-8(13-6)7(12)10-4/h5H,1-4H3,(H,10,12)
InChIKeyHGSPLLIKPRDKAX-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.80
Rot. Bonds1

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

5-tert-butyl-N-methyl-1,3-thiazole-2-carboxamide (PubChem CID 90191346) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-tert-butyl-N-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-methyl-1,3-thiazole-2-carboxamide
PubChem CID90191346
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name5-tert-butyl-N-methyl-1,3-thiazole-2-carboxamide
SMILESCNC(=O)c1ncc(C(C)(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-9(2,3)6-5-11-8(13-6)7(12)10-4/h5H,1-4H3,(H,10,12)
InChIKeyHGSPLLIKPRDKAX-UHFFFAOYSA-N
XLogP1.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-methyl-1,3-thiazole-2-carboxamide (CID 90191346) is 5-tert-butyl-N-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-methyl-1,3-thiazole-2-carboxamide is CNC(=O)c1ncc(C(C)(C)C)s1.
What is the InChIKey of 5-tert-butyl-N-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is HGSPLLIKPRDKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-9(2,3)6-5-11-8(13-6)7(12)10-4/h5H,1-4H3,(H,10,12).
What are the key properties of 5-tert-butyl-N-methyl-1,3-thiazole-2-carboxamide?
5-tert-butyl-N-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 90191346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).