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

C10H14ClN3O2S — CID 115359345

IUPAC5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1nnc(Cl)s1
InChIInChI=1S/C10H14ClN3O2S/c11-9-14-13-8(17-9)7(16)12-5-10(6-15)3-1-2-4-10/h15H,1-6H2,(H,12,16)
InChIKeyLTGYKIMJJWGIDZ-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.47
Rot. Bonds4

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

5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 115359345) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID115359345
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1nnc(Cl)s1
InChIInChI=1S/C10H14ClN3O2S/c11-9-14-13-8(17-9)7(16)12-5-10(6-15)3-1-2-4-10/h15H,1-6H2,(H,12,16)
InChIKeyLTGYKIMJJWGIDZ-UHFFFAOYSA-N
XLogP1.47
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618205
5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618344
5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618359
5-chloro-N-[(2-hydroxycyclohexyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618676
5-chloro-N-[(1-methylcyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619177
5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619325
5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 103966086
5-chloro-N-[2-(2-hydroxyethyl)pentyl]-1,3,4-thiadiazole-2-carboxamide
CID 106116591
5-chloro-N-[(3-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 106128325
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 106146255
5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-1,3,4-thiadiazole-2-carboxamide
CID 106146301
5-chloro-N-(5-hydroxy-4-methylpentyl)-1,3,4-thiadiazole-2-carboxamide
CID 106159481

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide (CID 115359345) is 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide is O=C(NCC1(CO)CCCC1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is LTGYKIMJJWGIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c11-9-14-13-8(17-9)7(16)12-5-10(6-15)3-1-2-4-10/h15H,1-6H2,(H,12,16).
What are the key properties of 5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 275.76 g/mol, XLogP of 1.47, 4 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]methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 115359345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).