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

C10H17N3OS — CID 115360758

IUPAC[1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
SMILESCc1nsc(NCC2(CO)CCCC2)n1
InChIInChI=1S/C10H17N3OS/c1-8-12-9(15-13-8)11-6-10(7-14)4-2-3-5-10/h14H,2-7H2,1H3,(H,11,12,13)
InChIKeyPWZHSUBDSNLLLP-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.81
Rot. Bonds4

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

[1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 115360758) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is [1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
PubChem CID115360758
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name[1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
SMILESCc1nsc(NCC2(CO)CCCC2)n1
InChIInChI=1S/C10H17N3OS/c1-8-12-9(15-13-8)11-6-10(7-14)4-2-3-5-10/h14H,2-7H2,1H3,(H,11,12,13)
InChIKeyPWZHSUBDSNLLLP-UHFFFAOYSA-N
XLogP1.81
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol (CID 115360758) is [1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol is Cc1nsc(NCC2(CO)CCCC2)n1.
What is the InChIKey of [1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is PWZHSUBDSNLLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8-12-9(15-13-8)11-6-10(7-14)4-2-3-5-10/h14H,2-7H2,1H3,(H,11,12,13).
What are the key properties of [1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol?
[1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 227.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115360758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).