N-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide

C11H16N2O2S — CID 63706871

IUPACN-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCN(CC1CCCOC1)C(=O)c1cscn1
InChIInChI=1S/C11H16N2O2S/c1-13(5-9-3-2-4-15-6-9)11(14)10-7-16-8-12-10/h7-9H,2-6H2,1H3
InChIKeyUORYMSZRASINMI-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.64
Rot. Bonds3

About N-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide

N-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 63706871) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID63706871
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCN(CC1CCCOC1)C(=O)c1cscn1
InChIInChI=1S/C11H16N2O2S/c1-13(5-9-3-2-4-15-6-9)11(14)10-7-16-8-12-10/h7-9H,2-6H2,1H3
InChIKeyUORYMSZRASINMI-UHFFFAOYSA-N
XLogP1.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55218707
5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide
CID 81315949
N-methyl-5-(methylamino)-N-(oxan-3-ylmethyl)pyridine-2-carboxamide
CID 104641380
5-iodo-N-methyl-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 78950078
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
6-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63706952
6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63711414
N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide
CID 107030003
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
3-bromo-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide
CID 63717719
3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 103826926
4-amino-N,6-dimethyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81241215

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 63706871) is N-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide is CN(CC1CCCOC1)C(=O)c1cscn1.
What is the InChIKey of N-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UORYMSZRASINMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-13(5-9-3-2-4-15-6-9)11(14)10-7-16-8-12-10/h7-9H,2-6H2,1H3.
What are the key properties of N-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
N-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63706871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).