5-ethyl-5H-cyclohepta[d][1,3]thiazole;propane

C13H19NS — CID 145130285

IUPAC5-ethyl-5H-cyclohepta[d][1,3]thiazole;propane
SMILESCCC.CCC1C=CC=c2scnc2=C1
InChIInChI=1S/C10H11NS.C3H8/c1-2-8-4-3-5-10-9(6-8)11-7-12-10;1-3-2/h3-8H,2H2,1H3;3H2,1-2H3
InChIKeyFLTZSICNZPYSFD-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.72
Rot. Bonds1

About 5-ethyl-5H-cyclohepta[d][1,3]thiazole;propane

5-ethyl-5H-cyclohepta[d][1,3]thiazole;propane (PubChem CID 145130285) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 5-ethyl-5H-cyclohepta[d][1,3]thiazole;propane.

Molecular Properties

Compound Name5-ethyl-5H-cyclohepta[d][1,3]thiazole;propane
PubChem CID145130285
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name5-ethyl-5H-cyclohepta[d][1,3]thiazole;propane
SMILESCCC.CCC1C=CC=c2scnc2=C1
InChIInChI=1S/C10H11NS.C3H8/c1-2-8-4-3-5-10-9(6-8)11-7-12-10;1-3-2/h3-8H,2H2,1H3;3H2,1-2H3
InChIKeyFLTZSICNZPYSFD-UHFFFAOYSA-N
XLogP2.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.72
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
(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
5,6-Dimethyl-5,6-dihydro-1,3-benzothiazole
CID 68103463
(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole
CID 89435831
6-Methyl-5,6-dihydro-1,3-benzothiazole
CID 89474199
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
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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5H-cyclohepta[d][1,3]thiazole;propane?
The IUPAC name of 5-ethyl-5H-cyclohepta[d][1,3]thiazole;propane (CID 145130285) is 5-ethyl-5H-cyclohepta[d][1,3]thiazole;propane.
What is the SMILES notation for 5-ethyl-5H-cyclohepta[d][1,3]thiazole;propane?
The canonical SMILES for 5-ethyl-5H-cyclohepta[d][1,3]thiazole;propane is CCC.CCC1C=CC=c2scnc2=C1.
What is the InChIKey of 5-ethyl-5H-cyclohepta[d][1,3]thiazole;propane?
The InChIKey is FLTZSICNZPYSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS.C3H8/c1-2-8-4-3-5-10-9(6-8)11-7-12-10;1-3-2/h3-8H,2H2,1H3;3H2,1-2H3.
What are the key properties of 5-ethyl-5H-cyclohepta[d][1,3]thiazole;propane?
5-ethyl-5H-cyclohepta[d][1,3]thiazole;propane has a molecular weight of 221.37 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5H-cyclohepta[d][1,3]thiazole;propane is sourced from PubChem (CID 145130285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).