5-(3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide

C10H16N2OS — CID 59238435

IUPAC5-(3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)CCc1scnc1C(N)=O
InChIInChI=1S/C10H16N2OS/c1-10(2,3)5-4-7-8(9(11)13)12-6-14-7/h6H,4-5H2,1-3H3,(H2,11,13)
InChIKeyKHDOUERMWUUXPZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.22
Rot. Bonds3

About 5-(3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide

5-(3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide (PubChem CID 59238435) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-(3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
PubChem CID59238435
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name5-(3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)CCc1scnc1C(N)=O
InChIInChI=1S/C10H16N2OS/c1-10(2,3)5-4-7-8(9(11)13)12-6-14-7/h6H,4-5H2,1-3H3,(H2,11,13)
InChIKeyKHDOUERMWUUXPZ-UHFFFAOYSA-N
XLogP2.22
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide (CID 59238435) is 5-(3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide is CC(C)(C)CCc1scnc1C(N)=O.
What is the InChIKey of 5-(3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KHDOUERMWUUXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-10(2,3)5-4-7-8(9(11)13)12-6-14-7/h6H,4-5H2,1-3H3,(H2,11,13).
What are the key properties of 5-(3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide?
5-(3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59238435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).