5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole

C10H11NS — CID 143657117

IUPAC5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole
SMILESCC1=CC(C)C=c2scnc2=C1
InChIInChI=1S/C10H11NS/c1-7-3-8(2)5-10-9(4-7)11-6-12-10/h3-6,8H,1-2H3
InChIKeyYVJKLIBGJMBSHL-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.30
Rot. Bonds

About 5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole

5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole (PubChem CID 143657117) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole
PubChem CID143657117
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole
SMILESCC1=CC(C)C=c2scnc2=C1
InChIInChI=1S/C10H11NS/c1-7-3-8(2)5-10-9(4-7)11-6-12-10/h3-6,8H,1-2H3
InChIKeyYVJKLIBGJMBSHL-UHFFFAOYSA-N
XLogP1.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.30
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
(5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole
CID 178009408
7-Ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
CID 170755443
7-methyl-5H-1,3-benzothiazol-5-ide;vanadium
CID 58775459
(5E)-5-butylidene-4-methylidene-1,3-thiazole
CID 89141823
(5Z,7Z)-7-methyl-4-methylidene-9H-1,3-thiazonine
CID 89832477
(5Z,7Z)-6,7-dimethyl-4-methylidene-9H-1,3-thiazonine
CID 89891585
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

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole (CID 143657117) is 5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole is CC1=CC(C)C=c2scnc2=C1.
What is the InChIKey of 5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole?
The InChIKey is YVJKLIBGJMBSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-7-3-8(2)5-10-9(4-7)11-6-12-10/h3-6,8H,1-2H3.
What are the key properties of 5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole?
5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole has a molecular weight of 177.27 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 143657117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).