2-methyl-4-[(E)-2-pyridin-3-ylethenyl]-1,3-thiazole

C11H10N2S — CID 11715388

IUPAC2-methyl-4-[(E)-2-pyridin-3-ylethenyl]-1,3-thiazole
SMILESCc1nc(/C=C/c2cccnc2)cs1
InChIInChI=1S/C11H10N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-8H,1H3/b5-4+
InChIKeyHHLKCNHXNVMBFW-SNAWJCMRSA-N
MW202.28 g/mol
LogP3.02
Rot. Bonds2

About 2-methyl-4-[(E)-2-pyridin-3-ylethenyl]-1,3-thiazole

2-methyl-4-[(E)-2-pyridin-3-ylethenyl]-1,3-thiazole (PubChem CID 11715388) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-methyl-4-[(E)-2-pyridin-3-ylethenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(E)-2-pyridin-3-ylethenyl]-1,3-thiazole
PubChem CID11715388
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name2-methyl-4-[(E)-2-pyridin-3-ylethenyl]-1,3-thiazole
SMILESCc1nc(/C=C/c2cccnc2)cs1
InChIInChI=1S/C11H10N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-8H,1H3/b5-4+
InChIKeyHHLKCNHXNVMBFW-SNAWJCMRSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fatostatin
CID 1889993
4-Phenyl-2-(4-pyridyl)thiazole
CID 738483
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CID 16662948
3-(2-(2-Methyl-4-thiazolyl)ethynyl)pyridine
CID 9794218
3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
3-[(2-Methyl-4-thiazolyl)ethynyl]-5-vinylpyridine
CID 11608287
2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
CID 44392990
4-(4-Chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
CID 2806768
4-(Pyridin-4-yl)-1,3-thiazol-2-amine
CID 930237
2-(2-Methyl-thiazol-4-ylethynyl)-pyridine
CID 11063448
4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(E)-2-pyridin-3-ylethenyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(E)-2-pyridin-3-ylethenyl]-1,3-thiazole (CID 11715388) is 2-methyl-4-[(E)-2-pyridin-3-ylethenyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(E)-2-pyridin-3-ylethenyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(E)-2-pyridin-3-ylethenyl]-1,3-thiazole is Cc1nc(/C=C/c2cccnc2)cs1.
What is the InChIKey of 2-methyl-4-[(E)-2-pyridin-3-ylethenyl]-1,3-thiazole?
The InChIKey is HHLKCNHXNVMBFW-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H10N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-8H,1H3/b5-4+.
What are the key properties of 2-methyl-4-[(E)-2-pyridin-3-ylethenyl]-1,3-thiazole?
2-methyl-4-[(E)-2-pyridin-3-ylethenyl]-1,3-thiazole has a molecular weight of 202.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(E)-2-pyridin-3-ylethenyl]-1,3-thiazole is sourced from PubChem (CID 11715388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).