N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide

C10H15N3O2S — CID 110719509

IUPACN-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide
SMILESCNc1nc(CNC(=O)C2CCCO2)cs1
InChIInChI=1S/C10H15N3O2S/c1-11-10-13-7(6-16-10)5-12-9(14)8-3-2-4-15-8/h6,8H,2-5H2,1H3,(H,11,13)(H,12,14)
InChIKeyCNIBZDWLNYTVSP-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.98
Rot. Bonds4

About N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide

N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide (PubChem CID 110719509) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide
PubChem CID110719509
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide
SMILESCNc1nc(CNC(=O)C2CCCO2)cs1
InChIInChI=1S/C10H15N3O2S/c1-11-10-13-7(6-16-10)5-12-9(14)8-3-2-4-15-8/h6,8H,2-5H2,1H3,(H,11,13)(H,12,14)
InChIKeyCNIBZDWLNYTVSP-UHFFFAOYSA-N
XLogP0.98
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide
CID 110359488
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide
CID 108748806
1-cyclopentyl-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 110747915
2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 62212778
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
(2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 124737179
(2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide
CID 103872325
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide
CID 91765036
N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide
CID 90950496
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 86771475
N-[[4-(methylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 47160865

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide (CID 110719509) is N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide is CNc1nc(CNC(=O)C2CCCO2)cs1.
What is the InChIKey of N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide?
The InChIKey is CNIBZDWLNYTVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-11-10-13-7(6-16-10)5-12-9(14)8-3-2-4-15-8/h6,8H,2-5H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide?
N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 110719509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).