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

C9H13N3O3S — CID 106381253

IUPAC3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCc2csc(=O)[nH]2)CCOC1
InChIInChI=1S/C9H13N3O3S/c10-9(1-2-15-5-9)7(13)11-3-6-4-16-8(14)12-6/h4H,1-3,5,10H2,(H,11,13)(H,12,14)
InChIKeyMFZOYBLSXHNYCT-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.83
Rot. Bonds3

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

3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 106381253) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
PubChem CID106381253
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCc2csc(=O)[nH]2)CCOC1
InChIInChI=1S/C9H13N3O3S/c10-9(1-2-15-5-9)7(13)11-3-6-4-16-8(14)12-6/h4H,1-3,5,10H2,(H,11,13)(H,12,14)
InChIKeyMFZOYBLSXHNYCT-UHFFFAOYSA-N
XLogP-0.83
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 106381204
4-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 106381257
4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 106381258
4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 106381337
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 106381353
4-[[(3-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381865
3-amino-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide
CID 106427468
4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide
CID 113357250

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide (CID 106381253) is 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide is NC1(C(=O)NCc2csc(=O)[nH]2)CCOC1.
What is the InChIKey of 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is MFZOYBLSXHNYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c10-9(1-2-15-5-9)7(13)11-3-6-4-16-8(14)12-6/h4H,1-3,5,10H2,(H,11,13)(H,12,14).
What are the key properties of 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 243.29 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 106381253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).