2-(5-methylpyrazol-1-yl)-5-propan-2-yl-1,3-thiazole

C10H13N3S — CID 54133811

IUPAC2-(5-methylpyrazol-1-yl)-5-propan-2-yl-1,3-thiazole
SMILESCc1ccnn1-c1ncc(C(C)C)s1
InChIInChI=1S/C10H13N3S/c1-7(2)9-6-11-10(14-9)13-8(3)4-5-12-13/h4-7H,1-3H3
InChIKeyNWFPJJLNJPFZLN-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.76
Rot. Bonds2

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

2-(5-methylpyrazol-1-yl)-5-propan-2-yl-1,3-thiazole (PubChem CID 54133811) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)-5-propan-2-yl-1,3-thiazole
PubChem CID54133811
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-(5-methylpyrazol-1-yl)-5-propan-2-yl-1,3-thiazole
SMILESCc1ccnn1-c1ncc(C(C)C)s1
InChIInChI=1S/C10H13N3S/c1-7(2)9-6-11-10(14-9)13-8(3)4-5-12-13/h4-7H,1-3H3
InChIKeyNWFPJJLNJPFZLN-UHFFFAOYSA-N
XLogP2.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(5-methylpyrazol-1-yl)-5-propan-2-yl-1,3-thiazole (CID 54133811) is 2-(5-methylpyrazol-1-yl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)-5-propan-2-yl-1,3-thiazole is Cc1ccnn1-c1ncc(C(C)C)s1.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is NWFPJJLNJPFZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7(2)9-6-11-10(14-9)13-8(3)4-5-12-13/h4-7H,1-3H3.
What are the key properties of 2-(5-methylpyrazol-1-yl)-5-propan-2-yl-1,3-thiazole?
2-(5-methylpyrazol-1-yl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 207.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 54133811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).