5-pentan-3-yl-1,3-thiazole-2-carboxamide

C9H14N2OS — CID 69318641

IUPAC5-pentan-3-yl-1,3-thiazole-2-carboxamide
SMILESCCC(CC)c1cnc(C(N)=O)s1
InChIInChI=1S/C9H14N2OS/c1-3-6(4-2)7-5-11-9(13-7)8(10)12/h5-6H,3-4H2,1-2H3,(H2,10,12)
InChIKeyUOHQNHFGUKTOTH-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.15
Rot. Bonds4

About 5-pentan-3-yl-1,3-thiazole-2-carboxamide

5-pentan-3-yl-1,3-thiazole-2-carboxamide (PubChem CID 69318641) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-pentan-3-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-pentan-3-yl-1,3-thiazole-2-carboxamide
PubChem CID69318641
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name5-pentan-3-yl-1,3-thiazole-2-carboxamide
SMILESCCC(CC)c1cnc(C(N)=O)s1
InChIInChI=1S/C9H14N2OS/c1-3-6(4-2)7-5-11-9(13-7)8(10)12/h5-6H,3-4H2,1-2H3,(H2,10,12)
InChIKeyUOHQNHFGUKTOTH-UHFFFAOYSA-N
XLogP2.15
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-pentan-3-yl-1,3-thiazole-2-carboxamide (CID 69318641) is 5-pentan-3-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-pentan-3-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-pentan-3-yl-1,3-thiazole-2-carboxamide is CCC(CC)c1cnc(C(N)=O)s1.
What is the InChIKey of 5-pentan-3-yl-1,3-thiazole-2-carboxamide?
The InChIKey is UOHQNHFGUKTOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-3-6(4-2)7-5-11-9(13-7)8(10)12/h5-6H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of 5-pentan-3-yl-1,3-thiazole-2-carboxamide?
5-pentan-3-yl-1,3-thiazole-2-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 69318641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).