5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide

C10H14N2O2S — CID 70669437

IUPAC5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCOCC2)s1
InChIInChI=1S/C10H14N2O2S/c1-7-6-11-10(15-7)9(13)12-8-2-4-14-5-3-8/h6,8H,2-5H2,1H3,(H,12,13)
InChIKeyJXFCNYGQHPIKCI-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.36
Rot. Bonds2

About 5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide

5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide (PubChem CID 70669437) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
PubChem CID70669437
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCOCC2)s1
InChIInChI=1S/C10H14N2O2S/c1-7-6-11-10(15-7)9(13)12-8-2-4-14-5-3-8/h6,8H,2-5H2,1H3,(H,12,13)
InChIKeyJXFCNYGQHPIKCI-UHFFFAOYSA-N
XLogP1.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide (CID 70669437) is 5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide is Cc1cnc(C(=O)NC2CCOCC2)s1.
What is the InChIKey of 5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is JXFCNYGQHPIKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-6-11-10(15-7)9(13)12-8-2-4-14-5-3-8/h6,8H,2-5H2,1H3,(H,12,13).
What are the key properties of 5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 70669437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).