6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole

C10H13NS — CID 123560106

IUPAC6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole
SMILESCCC1CC=c2ncsc2=CC1
InChIInChI=1S/C10H13NS/c1-2-8-3-5-9-10(6-4-8)12-7-11-9/h5-8H,2-4H2,1H3
InChIKeyTVTJXBDPKXTBHI-UHFFFAOYSA-N
MW179.29 g/mol
LogP1.52
Rot. Bonds1

About 6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole

6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole (PubChem CID 123560106) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole
PubChem CID123560106
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole
SMILESCCC1CC=c2ncsc2=CC1
InChIInChI=1S/C10H13NS/c1-2-8-3-5-9-10(6-4-8)12-7-11-9/h5-8H,2-4H2,1H3
InChIKeyTVTJXBDPKXTBHI-UHFFFAOYSA-N
XLogP1.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
5,6-Dimethyl-5,6-dihydro-1,3-benzothiazole
CID 68103463
(5E)-5-butylidene-4-methylidene-1,3-thiazole
CID 89141823
(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole
CID 89435831
6-Methyl-5,6-dihydro-1,3-benzothiazole
CID 89474199
6-Propan-2-yl-10-thia-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 134590915
2-Propan-2-yl-8-thia-3,10-diazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138722116
6-Propan-2-yl-8-thia-3,10-diazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138722174
2-Propan-2-yl-10-thia-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 138745833
Ethane;5-methylcyclohepta[d][1,3]thiazole
CID 143108302

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole (CID 123560106) is 6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole is CCC1CC=c2ncsc2=CC1.
What is the InChIKey of 6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole?
The InChIKey is TVTJXBDPKXTBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-2-8-3-5-9-10(6-4-8)12-7-11-9/h5-8H,2-4H2,1H3.
What are the key properties of 6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole?
6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole has a molecular weight of 179.29 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 123560106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).