5-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole

C16H11ClN4S2 — CID 58416095

IUPAC5-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-n1ccc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C16H11ClN4S2/c1-10-16(23-15(19-10)11-3-2-7-18-9-11)21-8-6-12(20-21)13-4-5-14(17)22-13/h2-9H,1H3
InChIKeyJPLBRIXMHOHFKL-UHFFFAOYSA-N
MW358.88 g/mol
LogP5.08
Rot. Bonds3

About 5-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole

5-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 58416095) has the molecular formula C16H11ClN4S2 and a molecular weight of 358.88 g/mol. Its IUPAC name is 5-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
PubChem CID58416095
Molecular FormulaC16H11ClN4S2
Molecular Weight358.88 g/mol
Exact Mass358.01
IUPAC Name5-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-n1ccc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C16H11ClN4S2/c1-10-16(23-15(19-10)11-3-2-7-18-9-11)21-8-6-12(20-21)13-4-5-14(17)22-13/h2-9H,1H3
InChIKeyJPLBRIXMHOHFKL-UHFFFAOYSA-N
XLogP5.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.88
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (CID 58416095) is 5-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-n1ccc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 5-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is JPLBRIXMHOHFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4S2/c1-10-16(23-15(19-10)11-3-2-7-18-9-11)21-8-6-12(20-21)13-4-5-14(17)22-13/h2-9H,1H3.
What are the key properties of 5-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
5-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 358.88 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-chlorothiophen-2-yl)pyrazol-1-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 58416095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).