2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide

C14H23N3O2S — CID 111430455

IUPAC2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCc1nnc(NC(=O)CC2(O)CCCC2)s1
InChIInChI=1S/C14H23N3O2S/c1-2-3-4-7-12-16-17-13(20-12)15-11(18)10-14(19)8-5-6-9-14/h19H,2-10H2,1H3,(H,15,17,18)
InChIKeyPGSHCNWBSOMMIK-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.90
Rot. Bonds7

About 2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 111430455) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID111430455
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCCc1nnc(NC(=O)CC2(O)CCCC2)s1
InChIInChI=1S/C14H23N3O2S/c1-2-3-4-7-12-16-17-13(20-12)15-11(18)10-14(19)8-5-6-9-14/h19H,2-10H2,1H3,(H,15,17,18)
InChIKeyPGSHCNWBSOMMIK-UHFFFAOYSA-N
XLogP2.90
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
1-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 119265205
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide
CID 52896832
1-hydroxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 110907147
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537274
pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate
CID 2207802
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430638
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486
N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 119265861

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide (CID 111430455) is 2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCCc1nnc(NC(=O)CC2(O)CCCC2)s1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is PGSHCNWBSOMMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-3-4-7-12-16-17-13(20-12)15-11(18)10-14(19)8-5-6-9-14/h19H,2-10H2,1H3,(H,15,17,18).
What are the key properties of 2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 297.42 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 111430455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).