2,4-dimethyl-5-(1-pyrrolidin-1-ylethenyl)-1,3-thiazole

C11H16N2S — CID 18511235

IUPAC2,4-dimethyl-5-(1-pyrrolidin-1-ylethenyl)-1,3-thiazole
SMILESC=C(c1sc(C)nc1C)N1CCCC1
InChIInChI=1S/C11H16N2S/c1-8-11(14-10(3)12-8)9(2)13-6-4-5-7-13/h2,4-7H2,1,3H3
InChIKeyKIBKAAWAWOZTAT-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.83
Rot. Bonds2

About 2,4-dimethyl-5-(1-pyrrolidin-1-ylethenyl)-1,3-thiazole

2,4-dimethyl-5-(1-pyrrolidin-1-ylethenyl)-1,3-thiazole (PubChem CID 18511235) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2,4-dimethyl-5-(1-pyrrolidin-1-ylethenyl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-(1-pyrrolidin-1-ylethenyl)-1,3-thiazole
PubChem CID18511235
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2,4-dimethyl-5-(1-pyrrolidin-1-ylethenyl)-1,3-thiazole
SMILESC=C(c1sc(C)nc1C)N1CCCC1
InChIInChI=1S/C11H16N2S/c1-8-11(14-10(3)12-8)9(2)13-6-4-5-7-13/h2,4-7H2,1,3H3
InChIKeyKIBKAAWAWOZTAT-UHFFFAOYSA-N
XLogP2.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-((3,3-Difluoropyrrolidin-1-yl)methyl)-2,4-dimethylthiazole
CID 122269264
5-Ethenyl-2-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 142920662
2,5-dimethyl-4H-[1,3]thiazolo[4,5-c]pyridine
CID 19826858
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethenamine
CID 21131876
4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione
CID 25143091
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N,N-dimethylethenamine
CID 54186624
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethenyl]methanimine
CID 59502557
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethenamine
CID 68073330
[(2,4-Dimethyl-1,3-thiazol-5-yl)methyl]dimethylamine
CID 89193394
2,4-Dimethyl-5-[(pyrrolidin-1-yl)methyl]-1,3-thiazole
CID 131703773
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylethanamine
CID 132149839
5-methyl-2-propan-2-yl-4H-[1,3]thiazolo[5,4-c]pyridine
CID 140908903

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(1-pyrrolidin-1-ylethenyl)-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-(1-pyrrolidin-1-ylethenyl)-1,3-thiazole (CID 18511235) is 2,4-dimethyl-5-(1-pyrrolidin-1-ylethenyl)-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-(1-pyrrolidin-1-ylethenyl)-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-(1-pyrrolidin-1-ylethenyl)-1,3-thiazole is C=C(c1sc(C)nc1C)N1CCCC1.
What is the InChIKey of 2,4-dimethyl-5-(1-pyrrolidin-1-ylethenyl)-1,3-thiazole?
The InChIKey is KIBKAAWAWOZTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-8-11(14-10(3)12-8)9(2)13-6-4-5-7-13/h2,4-7H2,1,3H3.
What are the key properties of 2,4-dimethyl-5-(1-pyrrolidin-1-ylethenyl)-1,3-thiazole?
2,4-dimethyl-5-(1-pyrrolidin-1-ylethenyl)-1,3-thiazole has a molecular weight of 208.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(1-pyrrolidin-1-ylethenyl)-1,3-thiazole is sourced from PubChem (CID 18511235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).