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

C13H23N3OS — CID 113294060

IUPAC[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
SMILESCC(C)(C)c1nsc(NCC2(CO)CCCC2)n1
InChIInChI=1S/C13H23N3OS/c1-12(2,3)10-15-11(18-16-10)14-8-13(9-17)6-4-5-7-13/h17H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyMJKBDKGLXBBMRQ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.80
Rot. Bonds4

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

[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 113294060) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is [1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
PubChem CID113294060
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
SMILESCC(C)(C)c1nsc(NCC2(CO)CCCC2)n1
InChIInChI=1S/C13H23N3OS/c1-12(2,3)10-15-11(18-16-10)14-8-13(9-17)6-4-5-7-13/h17H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyMJKBDKGLXBBMRQ-UHFFFAOYSA-N
XLogP2.80
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol (CID 113294060) is [1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol is CC(C)(C)c1nsc(NCC2(CO)CCCC2)n1.
What is the InChIKey of [1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is MJKBDKGLXBBMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-12(2,3)10-15-11(18-16-10)14-8-13(9-17)6-4-5-7-13/h17H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of [1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol?
[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 269.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 113294060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).