4-chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole

C7H6ClN3S — CID 83157990

IUPAC4-chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole
SMILESCn1cc(-c2nc(Cl)cs2)cn1
InChIInChI=1S/C7H6ClN3S/c1-11-3-5(2-9-11)7-10-6(8)4-12-7/h2-4H,1H3
InChIKeyVXTVUIAWYCPYFZ-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.20
Rot. Bonds1

About 4-chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole

4-chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole (PubChem CID 83157990) has the molecular formula C7H6ClN3S and a molecular weight of 199.67 g/mol. Its IUPAC name is 4-chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole
PubChem CID83157990
Molecular FormulaC7H6ClN3S
Molecular Weight199.67 g/mol
Exact Mass199.00
IUPAC Name4-chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole
SMILESCn1cc(-c2nc(Cl)cs2)cn1
InChIInChI=1S/C7H6ClN3S/c1-11-3-5(2-9-11)7-10-6(8)4-12-7/h2-4H,1H3
InChIKeyVXTVUIAWYCPYFZ-UHFFFAOYSA-N
XLogP2.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole (CID 83157990) is 4-chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole is Cn1cc(-c2nc(Cl)cs2)cn1.
What is the InChIKey of 4-chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The InChIKey is VXTVUIAWYCPYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3S/c1-11-3-5(2-9-11)7-10-6(8)4-12-7/h2-4H,1H3.
What are the key properties of 4-chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
4-chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole has a molecular weight of 199.67 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 83157990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).