N-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide

C14H16N2O2S2 — CID 126853665

IUPACN-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC(c1cccs1)C1CCOCC1)c1cscn1
InChIInChI=1S/C14H16N2O2S2/c17-14(11-8-19-9-15-11)16-13(12-2-1-7-20-12)10-3-5-18-6-4-10/h1-2,7-10,13H,3-6H2,(H,16,17)
InChIKeyLFJISKYDMZKCSZ-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.10
Rot. Bonds4

About N-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide

N-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 126853665) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID126853665
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC(c1cccs1)C1CCOCC1)c1cscn1
InChIInChI=1S/C14H16N2O2S2/c17-14(11-8-19-9-15-11)16-13(12-2-1-7-20-12)10-3-5-18-6-4-10/h1-2,7-10,13H,3-6H2,(H,16,17)
InChIKeyLFJISKYDMZKCSZ-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-trimethyl-N-[oxan-4-yl(thiophen-2-yl)methyl]benzamide
CID 126855328
N-[oxan-4-yl(thiophen-2-yl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 134161833
3-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-4-carboxamide
CID 134161548
5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 134161547
1-(2-methylphenyl)-3-[oxan-4-yl(thiophen-2-yl)methyl]urea
CID 134161746
5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 126853656
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 39032515
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60713993
N-(1-cyclobutylethyl)-1,3-thiazole-4-carboxamide
CID 115769139
N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 80713032
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 100699381

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 126853665) is N-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide is O=C(NC(c1cccs1)C1CCOCC1)c1cscn1.
What is the InChIKey of N-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LFJISKYDMZKCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c17-14(11-8-19-9-15-11)16-13(12-2-1-7-20-12)10-3-5-18-6-4-10/h1-2,7-10,13H,3-6H2,(H,16,17).
What are the key properties of N-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
N-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126853665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).