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

C10H15N3O3S — CID 106381204

IUPAC4-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCC1(C(=O)NCc2csc(=O)[nH]2)COCC1N
InChIInChI=1S/C10H15N3O3S/c1-10(5-16-3-7(10)11)8(14)12-2-6-4-17-9(15)13-6/h4,7H,2-3,5,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyVWCQIORIYVWXNY-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.58
Rot. Bonds3

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

4-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 106381204) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
PubChem CID106381204
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCC1(C(=O)NCc2csc(=O)[nH]2)COCC1N
InChIInChI=1S/C10H15N3O3S/c1-10(5-16-3-7(10)11)8(14)12-2-6-4-17-9(15)13-6/h4,7H,2-3,5,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyVWCQIORIYVWXNY-UHFFFAOYSA-N
XLogP-0.58
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-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-[[(4-amino-3-methyloxolan-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381791

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide (CID 106381204) is 4-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide is CC1(C(=O)NCc2csc(=O)[nH]2)COCC1N.
What is the InChIKey of 4-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is VWCQIORIYVWXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-10(5-16-3-7(10)11)8(14)12-2-6-4-17-9(15)13-6/h4,7H,2-3,5,11H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 4-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
4-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 257.31 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 106381204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).