3-methyl-7H-cyclohepta[d][1,2]thiazole

C9H9NS — CID 145296574

IUPAC3-methyl-7H-cyclohepta[d][1,2]thiazole
SMILESCc1nsc2c1=CC=CCC=2
InChIInChI=1S/C9H9NS/c1-7-8-5-3-2-4-6-9(8)11-10-7/h2-3,5-6H,4H2,1H3
InChIKeyUUZWTQFBNQEIBH-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.97
Rot. Bonds

About 3-methyl-7H-cyclohepta[d][1,2]thiazole

3-methyl-7H-cyclohepta[d][1,2]thiazole (PubChem CID 145296574) has the molecular formula C9H9NS and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-methyl-7H-cyclohepta[d][1,2]thiazole.

Molecular Properties

Compound Name3-methyl-7H-cyclohepta[d][1,2]thiazole
PubChem CID145296574
Molecular FormulaC9H9NS
Molecular Weight163.24 g/mol
Exact Mass163.05
IUPAC Name3-methyl-7H-cyclohepta[d][1,2]thiazole
SMILESCc1nsc2c1=CC=CCC=2
InChIInChI=1S/C9H9NS/c1-7-8-5-3-2-4-6-9(8)11-10-7/h2-3,5-6H,4H2,1H3
InChIKeyUUZWTQFBNQEIBH-UHFFFAOYSA-N
XLogP0.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22145432
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CID 173673633
3-methyl-7H-1,2-benzothiazol-7-ide;yttrium
CID 58110819
N-methylsulfanyl-6-propylidenecyclohexa-2,4-dien-1-imine
CID 91203748
6-butylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine
CID 123642712
4-methyl-3H-2,1-benzothiazine
CID 129197539
(4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole
CID 139436605
7-Ethanimidoylcyclohepta-1,3,6-triene-1-thiol
CID 141946931
3,5,5,7-Tetramethylcyclohepta[d][1,2]thiazole
CID 142411219
(4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane
CID 143162572
ethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole
CID 143162594

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7H-cyclohepta[d][1,2]thiazole?
The IUPAC name of 3-methyl-7H-cyclohepta[d][1,2]thiazole (CID 145296574) is 3-methyl-7H-cyclohepta[d][1,2]thiazole.
What is the SMILES notation for 3-methyl-7H-cyclohepta[d][1,2]thiazole?
The canonical SMILES for 3-methyl-7H-cyclohepta[d][1,2]thiazole is Cc1nsc2c1=CC=CCC=2.
What is the InChIKey of 3-methyl-7H-cyclohepta[d][1,2]thiazole?
The InChIKey is UUZWTQFBNQEIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-7-8-5-3-2-4-6-9(8)11-10-7/h2-3,5-6H,4H2,1H3.
What are the key properties of 3-methyl-7H-cyclohepta[d][1,2]thiazole?
3-methyl-7H-cyclohepta[d][1,2]thiazole has a molecular weight of 163.24 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7H-cyclohepta[d][1,2]thiazole is sourced from PubChem (CID 145296574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).