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

C12H19N3O3S — CID 106381353

IUPACN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C12H19N3O3S/c1-2-3-13-10-6-18-5-9(10)11(16)14-4-8-7-19-12(17)15-8/h7,9-10,13H,2-6H2,1H3,(H,14,16)(H,15,17)
InChIKeyCUODJTGWIJZVAL-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.07
Rot. Bonds6

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

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)oxolane-3-carboxamide (PubChem CID 106381353) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)oxolane-3-carboxamide
PubChem CID106381353
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C12H19N3O3S/c1-2-3-13-10-6-18-5-9(10)11(16)14-4-8-7-19-12(17)15-8/h7,9-10,13H,2-6H2,1H3,(H,14,16)(H,15,17)
InChIKeyCUODJTGWIJZVAL-UHFFFAOYSA-N
XLogP0.07
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 51114487
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
CID 52142709
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide
CID 52142710
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
4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 106381337
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
4-(methylamino)-N-(2-prop-2-enylsulfanylethyl)oxolane-3-carboxamide
CID 106427399

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)oxolane-3-carboxamide (CID 106381353) is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is CUODJTGWIJZVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-3-13-10-6-18-5-9(10)11(16)14-4-8-7-19-12(17)15-8/h7,9-10,13H,2-6H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)oxolane-3-carboxamide?
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 106381353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).