N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C9H14N4OS — CID 80615777

IUPACN-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC2CCCC2)s1
InChIInChI=1S/C9H14N4OS/c1-10-9-13-12-8(15-9)7(14)11-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,10,13)(H,11,14)
InChIKeySZSPMYXYKLDNEL-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.25
Rot. Bonds3

About N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615777) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615777
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC2CCCC2)s1
InChIInChI=1S/C9H14N4OS/c1-10-9-13-12-8(15-9)7(14)11-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,10,13)(H,11,14)
InChIKeySZSPMYXYKLDNEL-UHFFFAOYSA-N
XLogP1.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615428
N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619130
N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616887
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107856285
N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106015395
5-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617130
5-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80624519
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
(2R)-N-cyclopentyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 40810925
N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 110386309
N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615120
N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616011

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615777) is N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NC2CCCC2)s1.
What is the InChIKey of N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SZSPMYXYKLDNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-10-9-13-12-8(15-9)7(14)11-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,10,13)(H,11,14).
What are the key properties of N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).