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

C10H15N3O3S — CID 106381337

IUPAC4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H15N3O3S/c1-11-8-4-16-3-7(8)9(14)12-2-6-5-17-10(15)13-6/h5,7-8,11H,2-4H2,1H3,(H,12,14)(H,13,15)
InChIKeyQEOKMZSNVKIBJG-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.71
Rot. Bonds4

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

4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 106381337) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
PubChem CID106381337
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H15N3O3S/c1-11-8-4-16-3-7(8)9(14)12-2-6-5-17-10(15)13-6/h5,7-8,11H,2-4H2,1H3,(H,12,14)(H,13,15)
InChIKeyQEOKMZSNVKIBJG-UHFFFAOYSA-N
XLogP-0.71
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.71
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-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 106381258
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
4-[[[4-(ethylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381758
4-[[[4-(methylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381778
4-[[[4-(propylamino)oxolan-3-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381899

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide (CID 106381337) is 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide is CNC1COCC1C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is QEOKMZSNVKIBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-11-8-4-16-3-7(8)9(14)12-2-6-5-17-10(15)13-6/h5,7-8,11H,2-4H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide?
4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 257.31 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 106381337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).