[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol

C11H19N3OS — CID 65276754

IUPAC[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol
SMILESCC(C)c1nsc(NC2(CO)CCCC2)n1
InChIInChI=1S/C11H19N3OS/c1-8(2)9-12-10(16-14-9)13-11(7-15)5-3-4-6-11/h8,15H,3-7H2,1-2H3,(H,12,13,14)
InChIKeySQQVCLDHHZPMKQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.38
Rot. Bonds4

About [1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol

[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol (PubChem CID 65276754) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is [1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol
PubChem CID65276754
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol
SMILESCC(C)c1nsc(NC2(CO)CCCC2)n1
InChIInChI=1S/C11H19N3OS/c1-8(2)9-12-10(16-14-9)13-11(7-15)5-3-4-6-11/h8,15H,3-7H2,1-2H3,(H,12,13,14)
InChIKeySQQVCLDHHZPMKQ-UHFFFAOYSA-N
XLogP2.38
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol?
The IUPAC name of [1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol (CID 65276754) is [1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol is CC(C)c1nsc(NC2(CO)CCCC2)n1.
What is the InChIKey of [1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol?
The InChIKey is SQQVCLDHHZPMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(2)9-12-10(16-14-9)13-11(7-15)5-3-4-6-11/h8,15H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of [1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol?
[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol has a molecular weight of 241.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 65276754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).