8aH-cyclohepta[d][1,3]thiazole

C8H7NS — CID 144689340

IUPAC8aH-cyclohepta[d][1,3]thiazole
SMILESC1=CC=C2N=CSC2C=C1
InChIInChI=1S/C8H7NS/c1-2-4-7-8(5-3-1)10-6-9-7/h1-6,8H
InChIKeyUUQNIOPKCUHEKQ-UHFFFAOYSA-N
MW149.22 g/mol
LogP2.14
Rot. Bonds

About 8aH-cyclohepta[d][1,3]thiazole

8aH-cyclohepta[d][1,3]thiazole (PubChem CID 144689340) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 8aH-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name8aH-cyclohepta[d][1,3]thiazole
PubChem CID144689340
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name8aH-cyclohepta[d][1,3]thiazole
SMILESC1=CC=C2N=CSC2C=C1
InChIInChI=1S/C8H7NS/c1-2-4-7-8(5-3-1)10-6-9-7/h1-6,8H
InChIKeyUUQNIOPKCUHEKQ-UHFFFAOYSA-N
XLogP2.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5H-cyclohepta[d][1,3]thiazole
CID 123551915
4-But-2-enylidene-5-methyl-1,3-thiazole
CID 123875180
7H-cyclohepta[d][1,3]thiazole-7-thiol
CID 130239344
7H-cyclohepta[d][1,3]thiazole
CID 139417008
5,5-Dimethylcyclohepta[d][1,3]thiazole;ethane
CID 141904835
5,5-Dimethylcyclohepta[d][1,3]thiazole
CID 141904836
6-methyl-8aH-cyclohepta[d][1,3]thiazole
CID 141971961
N-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine
CID 143081164
Ethane;5-methylcyclohepta[d][1,3]thiazole
CID 143108302
N-(2-ethenylsulfanylcyclohepta-1,3,6-trien-1-yl)methanimine
CID 143216583
7,7-Dimethylcyclohepta[d][1,3]thiazole
CID 143871736
7-Methylcyclohepta[d][1,3]thiazole-7-thiol
CID 144790117

Frequently Asked Questions

What is the IUPAC name of 8aH-cyclohepta[d][1,3]thiazole?
The IUPAC name of 8aH-cyclohepta[d][1,3]thiazole (CID 144689340) is 8aH-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 8aH-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 8aH-cyclohepta[d][1,3]thiazole is C1=CC=C2N=CSC2C=C1.
What is the InChIKey of 8aH-cyclohepta[d][1,3]thiazole?
The InChIKey is UUQNIOPKCUHEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-2-4-7-8(5-3-1)10-6-9-7/h1-6,8H.
What are the key properties of 8aH-cyclohepta[d][1,3]thiazole?
8aH-cyclohepta[d][1,3]thiazole has a molecular weight of 149.22 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 144689340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).