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

C9H12ClN3O2S — CID 80618344

IUPAC5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1nnc(Cl)s1
InChIInChI=1S/C9H12ClN3O2S/c10-8-13-12-7(16-8)6(15)11-9(5-14)3-1-2-4-9/h14H,1-5H2,(H,11,15)
InChIKeyBVZDCDXXUMOALN-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.23
Rot. Bonds3

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

5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618344) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618344
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NC1(CO)CCCC1)c1nnc(Cl)s1
InChIInChI=1S/C9H12ClN3O2S/c10-8-13-12-7(16-8)6(15)11-9(5-14)3-1-2-4-9/h14H,1-5H2,(H,11,15)
InChIKeyBVZDCDXXUMOALN-UHFFFAOYSA-N
XLogP1.23
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618517
5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 115359345
5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619325
2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62519426
5-chloro-N-(3-hydroxypropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625182
5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide
CID 106360530
3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 122569574
4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 82833008
3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
CID 103403125
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724
N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335560
3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]pyridine-2-carboxamide
CID 55081325

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide (CID 80618344) is 5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide is O=C(NC1(CO)CCCC1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is BVZDCDXXUMOALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c10-8-13-12-7(16-8)6(15)11-9(5-14)3-1-2-4-9/h14H,1-5H2,(H,11,15).
What are the key properties of 5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 261.73 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).