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

C9H13N3O3S — CID 106381258

IUPAC4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H13N3O3S/c10-7-3-15-2-6(7)8(13)11-1-5-4-16-9(14)12-5/h4,6-7H,1-3,10H2,(H,11,13)(H,12,14)
InChIKeyDRHZKKZLTJILCA-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.97
Rot. Bonds3

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

4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 106381258) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
PubChem CID106381258
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H13N3O3S/c10-7-3-15-2-6(7)8(13)11-1-5-4-16-9(14)12-5/h4,6-7H,1-3,10H2,(H,11,13)(H,12,14)
InChIKeyDRHZKKZLTJILCA-UHFFFAOYSA-N
XLogP-0.97
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 ≤ 5-0.97
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
3-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 106381253
4-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 106381257
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
2-morpholin-3-yl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 106381356
4-[[(4-aminooxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381722

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide (CID 106381258) is 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide is NC1COCC1C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is DRHZKKZLTJILCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c10-7-3-15-2-6(7)8(13)11-1-5-4-16-9(14)12-5/h4,6-7H,1-3,10H2,(H,11,13)(H,12,14).
What are the key properties of 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
4-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 -0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 106381258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).