5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide

C9H13N5O2S — CID 106197790

IUPAC5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NC2CNC(=O)C2)s1
InChIInChI=1S/C9H13N5O2S/c1-2-10-9-14-13-8(17-9)7(16)12-5-3-6(15)11-4-5/h5H,2-4H2,1H3,(H,10,14)(H,11,15)(H,12,16)
InChIKeyXTCJQFWDVHFEQI-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.41
Rot. Bonds4

About 5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 106197790) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID106197790
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NC2CNC(=O)C2)s1
InChIInChI=1S/C9H13N5O2S/c1-2-10-9-14-13-8(17-9)7(16)12-5-3-6(15)11-4-5/h5H,2-4H2,1H3,(H,10,14)(H,11,15)(H,12,16)
InChIKeyXTCJQFWDVHFEQI-UHFFFAOYSA-N
XLogP-0.41
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616887
N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619130
N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090
N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616011
5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 136547555
3-(ethylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187570
5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616080
2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 95984995
N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616910
5-(ethylamino)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80615864
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617545

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide (CID 106197790) is 5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NC2CNC(=O)C2)s1.
What is the InChIKey of 5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is XTCJQFWDVHFEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-2-10-9-14-13-8(17-9)7(16)12-5-3-6(15)11-4-5/h5H,2-4H2,1H3,(H,10,14)(H,11,15)(H,12,16).
What are the key properties of 5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 255.30 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 106197790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).