5-methyl-2-(1-methylcyclononyl)-1,3-thiazole

C14H23NS — CID 130179511

IUPAC5-methyl-2-(1-methylcyclononyl)-1,3-thiazole
SMILESCc1cnc(C2(C)CCCCCCCC2)s1
InChIInChI=1S/C14H23NS/c1-12-11-15-13(16-12)14(2)9-7-5-3-4-6-8-10-14/h11H,3-10H2,1-2H3
InChIKeyZPSZCMMJNDQEQB-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.84
Rot. Bonds1

About 5-methyl-2-(1-methylcyclononyl)-1,3-thiazole

5-methyl-2-(1-methylcyclononyl)-1,3-thiazole (PubChem CID 130179511) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 5-methyl-2-(1-methylcyclononyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(1-methylcyclononyl)-1,3-thiazole
PubChem CID130179511
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name5-methyl-2-(1-methylcyclononyl)-1,3-thiazole
SMILESCc1cnc(C2(C)CCCCCCCC2)s1
InChIInChI=1S/C14H23NS/c1-12-11-15-13(16-12)14(2)9-7-5-3-4-6-8-10-14/h11H,3-10H2,1-2H3
InChIKeyZPSZCMMJNDQEQB-UHFFFAOYSA-N
XLogP4.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylcyclononyl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(1-methylcyclononyl)-1,3-thiazole (CID 130179511) is 5-methyl-2-(1-methylcyclononyl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(1-methylcyclononyl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(1-methylcyclononyl)-1,3-thiazole is Cc1cnc(C2(C)CCCCCCCC2)s1.
What is the InChIKey of 5-methyl-2-(1-methylcyclononyl)-1,3-thiazole?
The InChIKey is ZPSZCMMJNDQEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-12-11-15-13(16-12)14(2)9-7-5-3-4-6-8-10-14/h11H,3-10H2,1-2H3.
What are the key properties of 5-methyl-2-(1-methylcyclononyl)-1,3-thiazole?
5-methyl-2-(1-methylcyclononyl)-1,3-thiazole has a molecular weight of 237.41 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylcyclononyl)-1,3-thiazole is sourced from PubChem (CID 130179511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).