3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide

C16H20N2O3S — CID 95782280

IUPAC3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
SMILESCc1csc(CN(C[C@@H]2CCCO2)C(=O)c2occc2C)n1
InChIInChI=1S/C16H20N2O3S/c1-11-5-7-21-15(11)16(19)18(8-13-4-3-6-20-13)9-14-17-12(2)10-22-14/h5,7,10,13H,3-4,6,8-9H2,1-2H3/t13-/m0/s1
InChIKeyYSENXICPQDRNSW-ZDUSSCGKSA-N
MW320.41 g/mol
LogP3.17
Rot. Bonds5

About 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide

3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide (PubChem CID 95782280) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
PubChem CID95782280
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
SMILESCc1csc(CN(C[C@@H]2CCCO2)C(=O)c2occc2C)n1
InChIInChI=1S/C16H20N2O3S/c1-11-5-7-21-15(11)16(19)18(8-13-4-3-6-20-13)9-14-17-12(2)10-22-14/h5,7,10,13H,3-4,6,8-9H2,1-2H3/t13-/m0/s1
InChIKeyYSENXICPQDRNSW-ZDUSSCGKSA-N
XLogP3.17
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95898891
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea
CID 51084081
2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95782276
N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 75423166
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 5184376
4-bromo-N-[(3-methylthiophen-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40850953
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692
N-[2-(dimethylamino)ethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97434846
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 5226570
4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55389172
2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide
CID 106853558
5-[[(4-methyl-1,3-thiazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 166265207

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide (CID 95782280) is 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide is Cc1csc(CN(C[C@@H]2CCCO2)C(=O)c2occc2C)n1.
What is the InChIKey of 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide?
The InChIKey is YSENXICPQDRNSW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11-5-7-21-15(11)16(19)18(8-13-4-3-6-20-13)9-14-17-12(2)10-22-14/h5,7,10,13H,3-4,6,8-9H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide?
3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 95782280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).