6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine

C18H30N2S — CID 145451512

IUPAC6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
SMILESCCCc1nc2c(s1)CCN(CCC1CCCCC1)CC2
InChIInChI=1S/C18H30N2S/c1-2-6-18-19-16-10-13-20(14-11-17(16)21-18)12-9-15-7-4-3-5-8-15/h15H,2-14H2,1H3
InChIKeyNQLMITOWZZKPDN-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.47
Rot. Bonds5

About 6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine

6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine (PubChem CID 145451512) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine.

Molecular Properties

Compound Name6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
PubChem CID145451512
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
SMILESCCCc1nc2c(s1)CCN(CCC1CCCCC1)CC2
InChIInChI=1S/C18H30N2S/c1-2-6-18-19-16-10-13-20(14-11-17(16)21-18)12-9-15-7-4-3-5-8-15/h15H,2-14H2,1H3
InChIKeyNQLMITOWZZKPDN-UHFFFAOYSA-N
XLogP4.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The IUPAC name of 6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine (CID 145451512) is 6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine.
What is the SMILES notation for 6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The canonical SMILES for 6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine is CCCc1nc2c(s1)CCN(CCC1CCCCC1)CC2.
What is the InChIKey of 6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The InChIKey is NQLMITOWZZKPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-2-6-18-19-16-10-13-20(14-11-17(16)21-18)12-9-15-7-4-3-5-8-15/h15H,2-14H2,1H3.
What are the key properties of 6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine has a molecular weight of 306.52 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine is sourced from PubChem (CID 145451512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).