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

C9H12ClN3O2S — CID 106360530

IUPAC5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NC1CCCC1CO)c1nnc(Cl)s1
InChIInChI=1S/C9H12ClN3O2S/c10-9-13-12-8(16-9)7(15)11-6-3-1-2-5(6)4-14/h5-6,14H,1-4H2,(H,11,15)
InChIKeyCWMVTDPANKMMHZ-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.08
Rot. Bonds3

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

5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 106360530) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID106360530
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NC1CCCC1CO)c1nnc(Cl)s1
InChIInChI=1S/C9H12ClN3O2S/c10-9-13-12-8(16-9)7(15)11-6-3-1-2-5(6)4-14/h5-6,14H,1-4H2,(H,11,15)
InChIKeyCWMVTDPANKMMHZ-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619442
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066
2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
CID 103860531
3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 106364449
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103909256
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
5-bromo-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774144
5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774208
4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide
CID 103774058
4,5-dibromo-N-[2-(hydroxymethyl)cyclohexyl]thiophene-2-carboxamide
CID 103860399
2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103773984

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide (CID 106360530) is 5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide is O=C(NC1CCCC1CO)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is CWMVTDPANKMMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c10-9-13-12-8(16-9)7(15)11-6-3-1-2-5(6)4-14/h5-6,14H,1-4H2,(H,11,15).
What are the key properties of 5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 261.73 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 106360530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).