1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine

C9H15N3S — CID 65209450

IUPAC1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine
SMILESCNCc1snnc1C1CCCC1
InChIInChI=1S/C9H15N3S/c1-10-6-8-9(11-12-13-8)7-4-2-3-5-7/h7,10H,2-6H2,1H3
InChIKeyAYBNHSQRKFANMD-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.92
Rot. Bonds3

About 1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine

1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine (PubChem CID 65209450) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine
PubChem CID65209450
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine
SMILESCNCc1snnc1C1CCCC1
InChIInChI=1S/C9H15N3S/c1-10-6-8-9(11-12-13-8)7-4-2-3-5-7/h7,10H,2-6H2,1H3
InChIKeyAYBNHSQRKFANMD-UHFFFAOYSA-N
XLogP1.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 105156289
4,4,4-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105156401
4,4,4-trifluoro-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
CID 105156416
5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine
CID 105174342
N-ethyl-5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine
CID 105174384
5,5,5-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)-N-propylpentan-1-amine
CID 105174391
N-ethyl-4,4,4-trifluoro-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-amine
CID 113687113
5,5,5-trifluoro-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine
CID 113688938
2-(3,3-Difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 114225762
2-(3,3-Difluorocyclopentyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 114225795
N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine
CID 65204116
2-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propan-2-amine
CID 65204118

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine (CID 65209450) is 1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine is CNCc1snnc1C1CCCC1.
What is the InChIKey of 1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine?
The InChIKey is AYBNHSQRKFANMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-10-6-8-9(11-12-13-8)7-4-2-3-5-7/h7,10H,2-6H2,1H3.
What are the key properties of 1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine?
1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine has a molecular weight of 197.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylthiadiazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 65209450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).