4-(5-chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole

C14H14ClN3S2 — CID 2370271

IUPAC4-(5-chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1cc(C)n(CCc2nc(-c3ccc(Cl)s3)cs2)n1
InChIInChI=1S/C14H14ClN3S2/c1-9-7-10(2)18(17-9)6-5-14-16-11(8-19-14)12-3-4-13(15)20-12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyCTJOSTHJBJHOLA-UHFFFAOYSA-N
MW323.87 g/mol
LogP4.58
Rot. Bonds4

About 4-(5-chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole

4-(5-chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole (PubChem CID 2370271) has the molecular formula C14H14ClN3S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
PubChem CID2370271
Molecular FormulaC14H14ClN3S2
Molecular Weight323.87 g/mol
Exact Mass323.03
IUPAC Name4-(5-chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1cc(C)n(CCc2nc(-c3ccc(Cl)s3)cs2)n1
InChIInChI=1S/C14H14ClN3S2/c1-9-7-10(2)18(17-9)6-5-14-16-11(8-19-14)12-3-4-13(15)20-12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyCTJOSTHJBJHOLA-UHFFFAOYSA-N
XLogP4.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole (CID 2370271) is 4-(5-chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole is Cc1cc(C)n(CCc2nc(-c3ccc(Cl)s3)cs2)n1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The InChIKey is CTJOSTHJBJHOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S2/c1-9-7-10(2)18(17-9)6-5-14-16-11(8-19-14)12-3-4-13(15)20-12/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
4-(5-chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole has a molecular weight of 323.87 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 2370271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).