N-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide

C9H13N3OS — CID 71807143

IUPACN-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NC2CCCC2)n1
InChIInChI=1S/C9H13N3OS/c1-6-10-9(14-12-6)8(13)11-7-4-2-3-5-7/h7H,2-5H2,1H3,(H,11,13)
InChIKeyGIIUHQOONBPELG-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.52
Rot. Bonds2

About N-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide

N-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807143) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807143
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NC2CCCC2)n1
InChIInChI=1S/C9H13N3OS/c1-6-10-9(14-12-6)8(13)11-7-4-2-3-5-7/h7H,2-5H2,1H3,(H,11,13)
InChIKeyGIIUHQOONBPELG-UHFFFAOYSA-N
XLogP1.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(dimethylamino)ethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807138
N-isopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807130
(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide
CID 124596954
N-[(2S)-1-fluoropropan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 131185475
3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1,2,4-thiadiazole-5-carboxamide
CID 138021001
3-tert-butyl-N-propan-2-yl-1,2,4-thiadiazole-5-carboxamide
CID 89776216
3-tert-butyl-N-ethyl-1,2,4-thiadiazole-5-carboxamide
CID 89776258
N-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide
CID 135170504
5-methyl-N-propan-2-yl-1,2,4-thiadiazole-3-carboxamide
CID 135170511
N-ethyl-5-methyl-1,2,4-thiadiazole-3-carboxamide
CID 135170512
N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)hexyl]acetamide
CID 145796895
3-amino-N-butyl-1,2,4-thiadiazole-5-carboxamide
CID 56694455

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide (CID 71807143) is N-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is GIIUHQOONBPELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6-10-9(14-12-6)8(13)11-7-4-2-3-5-7/h7H,2-5H2,1H3,(H,11,13).
What are the key properties of N-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide?
N-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).