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

C9H12ClN3O2S — CID 80619325

IUPAC5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCC1(O)CCCC1)c1nnc(Cl)s1
InChIInChI=1S/C9H12ClN3O2S/c10-8-13-12-7(16-8)6(14)11-5-9(15)3-1-2-4-9/h15H,1-5H2,(H,11,14)
InChIKeyULRVLJJKEOCKME-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.23
Rot. Bonds3

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

5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619325) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619325
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCC1(O)CCCC1)c1nnc(Cl)s1
InChIInChI=1S/C9H12ClN3O2S/c10-8-13-12-7(16-8)6(14)11-5-9(15)3-1-2-4-9/h15H,1-5H2,(H,11,14)
InChIKeyULRVLJJKEOCKME-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)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 115359345
5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 106100363
5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618344
5-chloro-N-(thietan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 164661256
5-chloro-N-(3-hydroxypropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625182
5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619704
2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927
N-(3-aminopropyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80619306
N-(4-amino-4-oxobutyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80624913
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 154842643
5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80626070
2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103712029

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80619325) is 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide is O=C(NCC1(O)CCCC1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ULRVLJJKEOCKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c10-8-13-12-7(16-8)6(14)11-5-9(15)3-1-2-4-9/h15H,1-5H2,(H,11,14).
What are the key properties of 5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[(1-hydroxycyclopentyl)methyl]-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-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).