2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole

C12H8N2S2 — CID 100596517

IUPAC2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C12H8N2S2/c1-2-11(15-7-1)10-8-16-12(14-10)9-3-5-13-6-4-9/h1-8H
InChIKeyWBTLDKGEJQGXSG-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.93
Rot. Bonds2

About 2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole

2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole (PubChem CID 100596517) has the molecular formula C12H8N2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole
PubChem CID100596517
Molecular FormulaC12H8N2S2
Molecular Weight244.34 g/mol
Exact Mass244.01
IUPAC Name2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C12H8N2S2/c1-2-11(15-7-1)10-8-16-12(14-10)9-3-5-13-6-4-9/h1-8H
InChIKeyWBTLDKGEJQGXSG-UHFFFAOYSA-N
XLogP3.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 11726073
N,N-dimethyl-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyridin-2-amine
CID 142178647
2-(furan-2-yl)-4-thiophen-2-yl-1,3-thiazole
CID 6472219
4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 28907981
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108772112
4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrazol-5-amine
CID 60650149
4-(4-methyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole
CID 22049802
2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 46245962
4-thiophen-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 116967666
N-[(Z)-pyridin-4-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110539249
N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 5344926
platinum;bis(2-thiophen-2-ylpyridine)
CID 87764255

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole (CID 100596517) is 2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole is c1csc(-c2csc(-c3ccncc3)n2)c1.
What is the InChIKey of 2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is WBTLDKGEJQGXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2S2/c1-2-11(15-7-1)10-8-16-12(14-10)9-3-5-13-6-4-9/h1-8H.
What are the key properties of 2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole?
2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 244.34 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 100596517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).