N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine

C14H18N4OS — CID 133318360

IUPACN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2ccc(OC3CCCC3)nc2)n1
InChIInChI=1S/C14H18N4OS/c1-10-17-14(20-18-10)16-9-11-6-7-13(15-8-11)19-12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,16,17,18)
InChIKeyFNQFNTRFHQBPQH-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.18
Rot. Bonds5

About N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133318360) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133318360
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2ccc(OC3CCCC3)nc2)n1
InChIInChI=1S/C14H18N4OS/c1-10-17-14(20-18-10)16-9-11-6-7-13(15-8-11)19-12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,16,17,18)
InChIKeyFNQFNTRFHQBPQH-UHFFFAOYSA-N
XLogP3.18
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133319260
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133318732
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133317599
1-(6-cyclopentyloxy-3-pyridinyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 166187417
N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine
CID 114936879
1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111898018
N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine
CID 114342292
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55800689
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide
CID 60520618
N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-pyrazin-2-ylethanamine
CID 75427846
1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111607886

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 133318360) is N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCc2ccc(OC3CCCC3)nc2)n1.
What is the InChIKey of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is FNQFNTRFHQBPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-17-14(20-18-10)16-9-11-6-7-13(15-8-11)19-12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,16,17,18).
What are the key properties of N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 290.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133318360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).