2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole

C15H19N5S — CID 146038557

IUPAC2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(-c2nccn2CCc2cnn(C)c2)n1
InChIInChI=1S/C15H19N5S/c1-11(2)13-10-21-15(18-13)14-16-5-7-20(14)6-4-12-8-17-19(3)9-12/h5,7-11H,4,6H2,1-3H3
InChIKeyWXGNMNXAXYZOOV-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.11
Rot. Bonds5

About 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole

2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole (PubChem CID 146038557) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole
PubChem CID146038557
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(-c2nccn2CCc2cnn(C)c2)n1
InChIInChI=1S/C15H19N5S/c1-11(2)13-10-21-15(18-13)14-16-5-7-20(14)6-4-12-8-17-19(3)9-12/h5,7-11H,4,6H2,1-3H3
InChIKeyWXGNMNXAXYZOOV-UHFFFAOYSA-N
XLogP3.11
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole (CID 146038557) is 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole is CC(C)c1csc(-c2nccn2CCc2cnn(C)c2)n1.
What is the InChIKey of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is WXGNMNXAXYZOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-11(2)13-10-21-15(18-13)14-16-5-7-20(14)6-4-12-8-17-19(3)9-12/h5,7-11H,4,6H2,1-3H3.
What are the key properties of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole?
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 301.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 146038557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).