2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole

C13H21NS — CID 129256914

IUPAC2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole
SMILESC=Cc1nc(C(C)(CC)CCCC)cs1
InChIInChI=1S/C13H21NS/c1-5-8-9-13(4,7-3)11-10-15-12(6-2)14-11/h6,10H,2,5,7-9H2,1,3-4H3
InChIKeyDCNBQPGEIJEKRJ-UHFFFAOYSA-N
MW223.38 g/mol
LogP4.64
Rot. Bonds6

About 2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole

2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole (PubChem CID 129256914) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole
PubChem CID129256914
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole
SMILESC=Cc1nc(C(C)(CC)CCCC)cs1
InChIInChI=1S/C13H21NS/c1-5-8-9-13(4,7-3)11-10-15-12(6-2)14-11/h6,10H,2,5,7-9H2,1,3-4H3
InChIKeyDCNBQPGEIJEKRJ-UHFFFAOYSA-N
XLogP4.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole
CID 129132669
3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole
CID 155109996
2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole
CID 155110068
3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole
CID 126514041
1-tert-butyl-4-(3-methylheptan-3-yl)triazole
CID 139427991
2-fluoro-6-(3-methyloctan-3-yl)pyrazine
CID 146377439
2,2-dimethylhexane;tris(prop-1-ene)
CID 160899116
3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole
CID 129140986
4-(3-methylhexan-3-yl)-1,3-thiazole
CID 90363109
2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378751
2-(3-methylnonan-3-yl)pyrazine
CID 139342316
3-ethynyl-4-(3-methyldecan-3-yl)-1,2-thiazole
CID 155109993

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole?
The IUPAC name of 2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole (CID 129256914) is 2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole?
The canonical SMILES for 2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole is C=Cc1nc(C(C)(CC)CCCC)cs1.
What is the InChIKey of 2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole?
The InChIKey is DCNBQPGEIJEKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-5-8-9-13(4,7-3)11-10-15-12(6-2)14-11/h6,10H,2,5,7-9H2,1,3-4H3.
What are the key properties of 2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole?
2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole has a molecular weight of 223.38 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole is sourced from PubChem (CID 129256914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).