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

C12H21N3OS — CID 116782325

IUPAC3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCOC1(c2nsc(NC(C)C)n2)CCCC1
InChIInChI=1S/C12H21N3OS/c1-4-16-12(7-5-6-8-12)10-14-11(17-15-10)13-9(2)3/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyDCXZEWHJKBPTOH-UHFFFAOYSA-N
MW255.39 g/mol
LogP3.16
Rot. Bonds5

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

3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 116782325) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID116782325
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCOC1(c2nsc(NC(C)C)n2)CCCC1
InChIInChI=1S/C12H21N3OS/c1-4-16-12(7-5-6-8-12)10-14-11(17-15-10)13-9(2)3/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyDCXZEWHJKBPTOH-UHFFFAOYSA-N
XLogP3.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine
CID 116782367
N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 116782339
3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269279
4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine
CID 116746016
3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 116782401
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 116779321
3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 116781197
3-(2-ethoxypropan-2-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 116734330
4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 116781933
N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 116778526
2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 116776412
5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116776851

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 116782325) is 3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is CCOC1(c2nsc(NC(C)C)n2)CCCC1.
What is the InChIKey of 3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is DCXZEWHJKBPTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-16-12(7-5-6-8-12)10-14-11(17-15-10)13-9(2)3/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of 3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 255.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 116782325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).