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

C12H21N3OS — CID 113294044

IUPAC[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
SMILESCCCc1nsc(NCC2(CO)CCCC2)n1
InChIInChI=1S/C12H21N3OS/c1-2-5-10-14-11(17-15-10)13-8-12(9-16)6-3-4-7-12/h16H,2-9H2,1H3,(H,13,14,15)
InChIKeyPFMYDIRZCIXHOV-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.46
Rot. Bonds6

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

[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 113294044) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is [1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
PubChem CID113294044
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
SMILESCCCc1nsc(NCC2(CO)CCCC2)n1
InChIInChI=1S/C12H21N3OS/c1-2-5-10-14-11(17-15-10)13-8-12(9-16)6-3-4-7-12/h16H,2-9H2,1H3,(H,13,14,15)
InChIKeyPFMYDIRZCIXHOV-UHFFFAOYSA-N
XLogP2.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol (CID 113294044) is [1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol is CCCc1nsc(NCC2(CO)CCCC2)n1.
What is the InChIKey of [1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is PFMYDIRZCIXHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-5-10-14-11(17-15-10)13-8-12(9-16)6-3-4-7-12/h16H,2-9H2,1H3,(H,13,14,15).
What are the key properties of [1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol?
[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 255.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 113294044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).