4-(3-chlorothiophen-2-yl)-2-pyridin-3-yl-1,3-thiazole

C12H7ClN2S2 — CID 1488442

IUPAC4-(3-chlorothiophen-2-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESClc1ccsc1-c1csc(-c2cccnc2)n1
InChIInChI=1S/C12H7ClN2S2/c13-9-3-5-16-11(9)10-7-17-12(15-10)8-2-1-4-14-6-8/h1-7H
InChIKeyKIHWNFXLKWHVRY-UHFFFAOYSA-N
MW278.79 g/mol
LogP4.59
Rot. Bonds2

About 4-(3-chlorothiophen-2-yl)-2-pyridin-3-yl-1,3-thiazole

4-(3-chlorothiophen-2-yl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 1488442) has the molecular formula C12H7ClN2S2 and a molecular weight of 278.79 g/mol. Its IUPAC name is 4-(3-chlorothiophen-2-yl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-chlorothiophen-2-yl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID1488442
Molecular FormulaC12H7ClN2S2
Molecular Weight278.79 g/mol
Exact Mass277.97
IUPAC Name4-(3-chlorothiophen-2-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESClc1ccsc1-c1csc(-c2cccnc2)n1
InChIInChI=1S/C12H7ClN2S2/c13-9-3-5-16-11(9)10-7-17-12(15-10)8-2-1-4-14-6-8/h1-7H
InChIKeyKIHWNFXLKWHVRY-UHFFFAOYSA-N
XLogP4.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorothiophen-2-yl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-(3-chlorothiophen-2-yl)-2-pyridin-3-yl-1,3-thiazole (CID 1488442) is 4-(3-chlorothiophen-2-yl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(3-chlorothiophen-2-yl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(3-chlorothiophen-2-yl)-2-pyridin-3-yl-1,3-thiazole is Clc1ccsc1-c1csc(-c2cccnc2)n1.
What is the InChIKey of 4-(3-chlorothiophen-2-yl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is KIHWNFXLKWHVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2S2/c13-9-3-5-16-11(9)10-7-17-12(15-10)8-2-1-4-14-6-8/h1-7H.
What are the key properties of 4-(3-chlorothiophen-2-yl)-2-pyridin-3-yl-1,3-thiazole?
4-(3-chlorothiophen-2-yl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 278.79 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorothiophen-2-yl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 1488442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).