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

C12H20N4OS — CID 80616090

IUPACN-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCCC2CCCC2)s1
InChIInChI=1S/C12H20N4OS/c1-2-13-12-16-15-11(18-12)10(17)14-8-7-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyUCOJDAHLUYLZTF-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.28
Rot. Bonds6

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

N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616090) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616090
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCCC2CCCC2)s1
InChIInChI=1S/C12H20N4OS/c1-2-13-12-16-15-11(18-12)10(17)14-8-7-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyUCOJDAHLUYLZTF-UHFFFAOYSA-N
XLogP2.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616910
N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619130
N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106015395
N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616887
5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 107298229
N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615458
5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 114101851
5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide
CID 115522177
N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617528
5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618770
5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616080

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80616090) is N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCCC2CCCC2)s1.
What is the InChIKey of N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UCOJDAHLUYLZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-13-12-16-15-11(18-12)10(17)14-8-7-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).