5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide

C13H20ClN3OS — CID 80617857

IUPAC5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)CC1(CNC(=O)c2nnc(Cl)s2)CCCC1
InChIInChI=1S/C13H20ClN3OS/c1-9(2)7-13(5-3-4-6-13)8-15-10(18)11-16-17-12(14)19-11/h9H,3-8H2,1-2H3,(H,15,18)
InChIKeyQIUWFSGWWJSANW-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.53
Rot. Bonds5

About 5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617857) has the molecular formula C13H20ClN3OS and a molecular weight of 301.84 g/mol. Its IUPAC name is 5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617857
Molecular FormulaC13H20ClN3OS
Molecular Weight301.84 g/mol
Exact Mass301.10
IUPAC Name5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)CC1(CNC(=O)c2nnc(Cl)s2)CCCC1
InChIInChI=1S/C13H20ClN3OS/c1-9(2)7-13(5-3-4-6-13)8-15-10(18)11-16-17-12(14)19-11/h9H,3-8H2,1-2H3,(H,15,18)
InChIKeyQIUWFSGWWJSANW-UHFFFAOYSA-N
XLogP3.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80617857) is 5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide is CC(C)CC1(CNC(=O)c2nnc(Cl)s2)CCCC1.
What is the InChIKey of 5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QIUWFSGWWJSANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3OS/c1-9(2)7-13(5-3-4-6-13)8-15-10(18)11-16-17-12(14)19-11/h9H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 301.84 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).