2-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole

C9H11NS2 — CID 102104637

IUPAC2-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCSC1=C(C2=NCCS2)CC=C1
InChIInChI=1S/C9H11NS2/c1-11-8-4-2-3-7(8)9-10-5-6-12-9/h2,4H,3,5-6H2,1H3
InChIKeyYGKONQMAKIPWJC-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.71
Rot. Bonds2

About 2-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole

2-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 102104637) has the molecular formula C9H11NS2 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole
PubChem CID102104637
Molecular FormulaC9H11NS2
Molecular Weight197.33 g/mol
Exact Mass197.03
IUPAC Name2-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCSC1=C(C2=NCCS2)CC=C1
InChIInChI=1S/C9H11NS2/c1-11-8-4-2-3-7(8)9-10-5-6-12-9/h2,4H,3,5-6H2,1H3
InChIKeyYGKONQMAKIPWJC-UHFFFAOYSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclopenta[d]thieno[2,3-b]pyridine
CID 129706230
2-[(2Z,4Z)-3-methylhepta-2,4,6-trienyl]-4,5-dihydro-1,3-thiazole
CID 88860328
(4Z,5E)-4-ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine
CID 89510178
2-Pent-2-en-2-yl-4,5-dihydro-1,3-thiazole
CID 91379774
2-Buta-1,3-dien-2-yl-3a,7a-dihydro-1,3-benzothiazole
CID 118616219
4-Bromo-2-hexa-1,3-dien-2-yl-5-methyl-4,5-dihydro-1,3-thiazole
CID 123268638
N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine
CID 123529924
4-Ethylidene-5-prop-2-enylidene-6-prop-2-enylsulfanyl-2,3-dihydropyridine
CID 123980966
(3Z)-5-ethyl-N-methyl-3-propylidenethiophen-2-imine
CID 144699030
(3Z)-3-butylidene-N-methylthiophen-2-imine
CID 144960236
ethane;(3Z)-N-ethyl-3-ethylidenethiophen-2-imine
CID 145640282
1-[5-(1-ethylsulfanylethyl)cyclohepta-1,4,6-trien-1-yl]-N-methylmethanimine
CID 146642728

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole (CID 102104637) is 2-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole is CSC1=C(C2=NCCS2)CC=C1.
What is the InChIKey of 2-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is YGKONQMAKIPWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS2/c1-11-8-4-2-3-7(8)9-10-5-6-12-9/h2,4H,3,5-6H2,1H3.
What are the key properties of 2-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole?
2-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 197.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylcyclopenta-1,3-dien-1-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 102104637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).