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

C7H9N3S — CID 146331676

IUPAC2-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazole
SMILESCn1ccc(C2=NCCS2)n1
InChIInChI=1S/C7H9N3S/c1-10-4-2-6(9-10)7-8-3-5-11-7/h2,4H,3,5H2,1H3
InChIKeyDPEISNFHBPVMKU-UHFFFAOYSA-N
MW167.24 g/mol
LogP0.91
Rot. Bonds1

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

2-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 146331676) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazole
PubChem CID146331676
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name2-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazole
SMILESCn1ccc(C2=NCCS2)n1
InChIInChI=1S/C7H9N3S/c1-10-4-2-6(9-10)7-8-3-5-11-7/h2,4H,3,5H2,1H3
InChIKeyDPEISNFHBPVMKU-UHFFFAOYSA-N
XLogP0.91
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazole (CID 146331676) is 2-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazole is Cn1ccc(C2=NCCS2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is DPEISNFHBPVMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c1-10-4-2-6(9-10)7-8-3-5-11-7/h2,4H,3,5H2,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazole?
2-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 167.24 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 146331676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).