2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole

C11H17NS — CID 130157917

IUPAC2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
SMILESCCCc1nc2c(s1)CCCCC2
InChIInChI=1S/C11H17NS/c1-2-6-11-12-9-7-4-3-5-8-10(9)13-11/h2-8H2,1H3
InChIKeyYPYLSVLWNXWGIX-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.36
Rot. Bonds2

About 2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole

2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole (PubChem CID 130157917) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
PubChem CID130157917
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
SMILESCCCc1nc2c(s1)CCCCC2
InChIInChI=1S/C11H17NS/c1-2-6-11-12-9-7-4-3-5-8-10(9)13-11/h2-8H2,1H3
InChIKeyYPYLSVLWNXWGIX-UHFFFAOYSA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Diethyl-4-methylthiazole
CID 518856
2,5-Diethyl-4-propylthiazole
CID 55295881
5-Ethyl-2,4-dimethylthiazole
CID 162293
4-Butyl-2,5-dimethylthiazole
CID 581380
2,4-Dimethyl-5-propylthiazole
CID 521079
4-Ethyl-2-heptyl-5-methylthiazole
CID 71405846
2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yldisulfanyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 137644518
5-Ethyl-4-methyl-2-pentylthiazole
CID 55271531
2-Butyl-5-ethyl-4-methylthiazole
CID 55296074
5-Ethyl-2-methyl-4-propylthiazole
CID 588155
Thiazole, 4-ethyl-2-methyl-5-propyl-
CID 587855
Thiazole, 2-chloro-4-methyl-5-propyl-
CID 208189

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole (CID 130157917) is 2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole is CCCc1nc2c(s1)CCCCC2.
What is the InChIKey of 2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The InChIKey is YPYLSVLWNXWGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-2-6-11-12-9-7-4-3-5-8-10(9)13-11/h2-8H2,1H3.
What are the key properties of 2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole has a molecular weight of 195.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 130157917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).