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

C9H12ClN3O2S — CID 106128325

IUPAC5-chloro-N-[(3-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1nnc(Cl)s1
InChIInChI=1S/C9H12ClN3O2S/c10-9-13-12-8(16-9)7(15)11-4-5-1-2-6(14)3-5/h5-6,14H,1-4H2,(H,11,15)
InChIKeyNAYCJOLXRQBEQJ-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.08
Rot. Bonds3

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

5-chloro-N-[(3-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 106128325) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 5-chloro-N-[(3-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID106128325
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name5-chloro-N-[(3-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1nnc(Cl)s1
InChIInChI=1S/C9H12ClN3O2S/c10-9-13-12-8(16-9)7(15)11-4-5-1-2-6(14)3-5/h5-6,14H,1-4H2,(H,11,15)
InChIKeyNAYCJOLXRQBEQJ-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 106128325) is 5-chloro-N-[(3-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide is O=C(NCC1CCC(O)C1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(3-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is NAYCJOLXRQBEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c10-9-13-12-8(16-9)7(15)11-4-5-1-2-6(14)3-5/h5-6,14H,1-4H2,(H,11,15).
What are the key properties of 5-chloro-N-[(3-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[(3-hydroxycyclopentyl)methyl]-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-[(3-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 106128325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).