4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole

C9H11N3S — CID 65168255

IUPAC4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole
SMILESCc1ccn(-c2nc(C)c(C)s2)n1
InChIInChI=1S/C9H11N3S/c1-6-4-5-12(11-6)9-10-7(2)8(3)13-9/h4-5H,1-3H3
InChIKeyYIHADEHWHZSPBK-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.25
Rot. Bonds1

About 4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole

4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole (PubChem CID 65168255) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole
PubChem CID65168255
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole
SMILESCc1ccn(-c2nc(C)c(C)s2)n1
InChIInChI=1S/C9H11N3S/c1-6-4-5-12(11-6)9-10-7(2)8(3)13-9/h4-5H,1-3H3
InChIKeyYIHADEHWHZSPBK-UHFFFAOYSA-N
XLogP2.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole (CID 65168255) is 4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole is Cc1ccn(-c2nc(C)c(C)s2)n1.
What is the InChIKey of 4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole?
The InChIKey is YIHADEHWHZSPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-6-4-5-12(11-6)9-10-7(2)8(3)13-9/h4-5H,1-3H3.
What are the key properties of 4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole?
4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole has a molecular weight of 193.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 65168255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).