2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid

C12H18N4O3S — CID 107642597

IUPAC2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid
SMILESCCc1nnc(NC(=O)N(CC(=O)O)C2CCCC2)s1
InChIInChI=1S/C12H18N4O3S/c1-2-9-14-15-11(20-9)13-12(19)16(7-10(17)18)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,17,18)(H,13,15,19)
InChIKeyONWPNXVIALLMSM-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.96
Rot. Bonds5

About 2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid

2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid (PubChem CID 107642597) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid
PubChem CID107642597
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid
SMILESCCc1nnc(NC(=O)N(CC(=O)O)C2CCCC2)s1
InChIInChI=1S/C12H18N4O3S/c1-2-9-14-15-11(20-9)13-12(19)16(7-10(17)18)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,17,18)(H,13,15,19)
InChIKeyONWPNXVIALLMSM-UHFFFAOYSA-N
XLogP1.96
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-propylamino]acetic acid
CID 107642456
trans-(1S,2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753029
2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid
CID 61205623
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107641478
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 50875779
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea
CID 110932980
2-[[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 107642508
6-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4531585
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 107642467
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxobutanamide
CID 4044677
3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-hydroxyethyl)-1-propylurea
CID 110890653
4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid (CID 107642597) is 2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid is CCc1nnc(NC(=O)N(CC(=O)O)C2CCCC2)s1.
What is the InChIKey of 2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid?
The InChIKey is ONWPNXVIALLMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-2-9-14-15-11(20-9)13-12(19)16(7-10(17)18)8-5-3-4-6-8/h8H,2-7H2,1H3,(H,17,18)(H,13,15,19).
What are the key properties of 2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid?
2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid has a molecular weight of 298.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107642597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).