4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid

C12H15N3O4S — CID 66239767

IUPAC4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid
SMILESO=C(Nc1nc2c(s1)CCC2)NC1COCC1C(=O)O
InChIInChI=1S/C12H15N3O4S/c16-10(17)6-4-19-5-8(6)13-11(18)15-12-14-7-2-1-3-9(7)20-12/h6,8H,1-5H2,(H,16,17)(H2,13,14,15,18)
InChIKeyHYOPGLBOAZGBPQ-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.85
Rot. Bonds3

About 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid

4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid (PubChem CID 66239767) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid
PubChem CID66239767
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid
SMILESO=C(Nc1nc2c(s1)CCC2)NC1COCC1C(=O)O
InChIInChI=1S/C12H15N3O4S/c16-10(17)6-4-19-5-8(6)13-11(18)15-12-14-7-2-1-3-9(7)20-12/h6,8H,1-5H2,(H,16,17)(H2,13,14,15,18)
InChIKeyHYOPGLBOAZGBPQ-UHFFFAOYSA-N
XLogP0.85
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64817511
cis-(1R,3S)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319491
4-(1,3-benzothiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid
CID 66239340
cis-(1S,2R)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 94226301
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095264
4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]oxolane-3-carboxylic acid
CID 106262317
(2R,5S)-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102945089
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide
CID 56675559
4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)oxolane-3-carboxylic acid
CID 66221178
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 63678785
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid (CID 66239767) is 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid is O=C(Nc1nc2c(s1)CCC2)NC1COCC1C(=O)O.
What is the InChIKey of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid?
The InChIKey is HYOPGLBOAZGBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c16-10(17)6-4-19-5-8(6)13-11(18)15-12-14-7-2-1-3-9(7)20-12/h6,8H,1-5H2,(H,16,17)(H2,13,14,15,18).
What are the key properties of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid?
4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid has a molecular weight of 297.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66239767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).