4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid

C13H17N3O4S — CID 66250942

IUPAC4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C13H17N3O4S/c1-13(10(17)18)6-20-4-9(13)15-11(19)16-12-14-8(5-21-12)7-2-3-7/h5,7,9H,2-4,6H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeyIKWRNOCANFWEPQ-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.63
Rot. Bonds4

About 4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid

4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66250942) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
PubChem CID66250942
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C13H17N3O4S/c1-13(10(17)18)6-20-4-9(13)15-11(19)16-12-14-8(5-21-12)7-2-3-7/h5,7,9H,2-4,6H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKeyIKWRNOCANFWEPQ-UHFFFAOYSA-N
XLogP1.63
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid (CID 66250942) is 4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of 4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is IKWRNOCANFWEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-13(10(17)18)6-20-4-9(13)15-11(19)16-12-14-8(5-21-12)7-2-3-7/h5,7,9H,2-4,6H2,1H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid?
4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66250942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).