4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole

C7H9N3S — CID 149148160

IUPAC4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole
SMILESCC1=CSC(c2cn[nH]c2)N1
InChIInChI=1S/C7H9N3S/c1-5-4-11-7(10-5)6-2-8-9-3-6/h2-4,7,10H,1H3,(H,8,9)
InChIKeyRLGSBAOWUIVYLD-UHFFFAOYSA-N
MW167.24 g/mol
LogP1.61
Rot. Bonds1

About 4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole

4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole (PubChem CID 149148160) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole
PubChem CID149148160
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole
SMILESCC1=CSC(c2cn[nH]c2)N1
InChIInChI=1S/C7H9N3S/c1-5-4-11-7(10-5)6-2-8-9-3-6/h2-4,7,10H,1H3,(H,8,9)
InChIKeyRLGSBAOWUIVYLD-UHFFFAOYSA-N
XLogP1.61
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole (CID 149148160) is 4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole is CC1=CSC(c2cn[nH]c2)N1.
What is the InChIKey of 4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole?
The InChIKey is RLGSBAOWUIVYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c1-5-4-11-7(10-5)6-2-8-9-3-6/h2-4,7,10H,1H3,(H,8,9).
What are the key properties of 4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole?
4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole has a molecular weight of 167.24 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1H-pyrazol-4-yl)-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 149148160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).