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

C9H9NS — CID 147881718

IUPAC7-methyl-7H-cyclohepta[d][1,3]thiazole
SMILESCC1C=CC=c2ncsc2=C1
InChIInChI=1S/C9H9NS/c1-7-3-2-4-8-9(5-7)11-6-10-8/h2-7H,1H3
InChIKeyIAOHYRSGYCWLPY-UHFFFAOYSA-N
MW163.25 g/mol
LogP0.91
Rot. Bonds

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

7-methyl-7H-cyclohepta[d][1,3]thiazole (PubChem CID 147881718) has the molecular formula C9H9NS and a molecular weight of 163.25 g/mol. Its IUPAC name is 7-methyl-7H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name7-methyl-7H-cyclohepta[d][1,3]thiazole
PubChem CID147881718
Molecular FormulaC9H9NS
Molecular Weight163.25 g/mol
Exact Mass163.05
IUPAC Name7-methyl-7H-cyclohepta[d][1,3]thiazole
SMILESCC1C=CC=c2ncsc2=C1
InChIInChI=1S/C9H9NS/c1-7-3-2-4-8-9(5-7)11-6-10-8/h2-7H,1H3
InChIKeyIAOHYRSGYCWLPY-UHFFFAOYSA-N
XLogP0.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole
CID 170756234
5-Fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole
CID 170756304
5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole
CID 170757459
7-Ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
CID 170755443
(5E)-5-butylidene-4-methylidene-1,3-thiazole
CID 89141823
(5Z,7Z)-7-methyl-4-methylidene-9H-1,3-thiazonine
CID 89832477
4-(2-Methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole
CID 91027427
5H-cyclohepta[d][1,3]thiazole
CID 123551915
6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole
CID 123560106
4-But-2-enylidene-5-methyl-1,3-thiazole
CID 123875180
methyl N-hexa-1,3-dien-2-ylmethanimidothioate
CID 123981750
4-Ethylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 124006924

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 7-methyl-7H-cyclohepta[d][1,3]thiazole (CID 147881718) is 7-methyl-7H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 7-methyl-7H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 7-methyl-7H-cyclohepta[d][1,3]thiazole is CC1C=CC=c2ncsc2=C1.
What is the InChIKey of 7-methyl-7H-cyclohepta[d][1,3]thiazole?
The InChIKey is IAOHYRSGYCWLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-7-3-2-4-8-9(5-7)11-6-10-8/h2-7H,1H3.
What are the key properties of 7-methyl-7H-cyclohepta[d][1,3]thiazole?
7-methyl-7H-cyclohepta[d][1,3]thiazole has a molecular weight of 163.25 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 147881718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).