4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide

C9H13N3O2S — CID 66235281

IUPAC4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCc1cscn1
InChIInChI=1S/C9H13N3O2S/c10-8-3-14-2-7(8)9(13)11-1-6-4-15-5-12-6/h4-5,7-8H,1-3,10H2,(H,11,13)
InChIKeyLPMOYBPSMUOLFN-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.27
Rot. Bonds3

About 4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide

4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide (PubChem CID 66235281) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide
PubChem CID66235281
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCc1cscn1
InChIInChI=1S/C9H13N3O2S/c10-8-3-14-2-7(8)9(13)11-1-6-4-15-5-12-6/h4-5,7-8H,1-3,10H2,(H,11,13)
InChIKeyLPMOYBPSMUOLFN-UHFFFAOYSA-N
XLogP-0.27
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 75417636
2-[(3R)-oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 124294035
N-({2-[(methylthio)methyl]-1,3-thiazol-4-yl}methyl)tetrahydrofuran-3-carboxamide
CID 56741372
5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide
CID 49344350
1-(2-morpholin-4-ylethyl)-5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide
CID 49501423
Oxolan-3-yl-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 53587417
1-(oxolan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61170443
2-amino-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 62477312
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide
CID 63005356
N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63037381
4-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide
CID 63823914
4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
CID 63823916

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide (CID 66235281) is 4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide is NC1COCC1C(=O)NCc1cscn1.
What is the InChIKey of 4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide?
The InChIKey is LPMOYBPSMUOLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-8-3-14-2-7(8)9(13)11-1-6-4-15-5-12-6/h4-5,7-8H,1-3,10H2,(H,11,13).
What are the key properties of 4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide?
4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide has a molecular weight of 227.29 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-thiazol-4-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66235281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).