3-(1-methoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

C11H19N3OS — CID 104612110

IUPAC3-(1-methoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOC1(c2nsc(NC(C)C)n2)CCCC1
InChIInChI=1S/C11H19N3OS/c1-8(2)12-10-13-9(14-16-10)11(15-3)6-4-5-7-11/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyOKQZHDCRLKUSEP-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.77
Rot. Bonds4

About 3-(1-methoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

3-(1-methoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 104612110) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-(1-methoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(1-methoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID104612110
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-(1-methoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOC1(c2nsc(NC(C)C)n2)CCCC1
InChIInChI=1S/C11H19N3OS/c1-8(2)12-10-13-9(14-16-10)11(15-3)6-4-5-7-11/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyOKQZHDCRLKUSEP-UHFFFAOYSA-N
XLogP2.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(1-methoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 104612110) is 3-(1-methoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(1-methoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(1-methoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is COC1(c2nsc(NC(C)C)n2)CCCC1.
What is the InChIKey of 3-(1-methoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is OKQZHDCRLKUSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(2)12-10-13-9(14-16-10)11(15-3)6-4-5-7-11/h8H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of 3-(1-methoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-(1-methoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 241.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 104612110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).