2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole

C18H17N5S — CID 95558083

IUPAC2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole
SMILESCc1nc([C@H](C)n2ccnc2-c2cccc(-n3cccn3)c2)cs1
InChIInChI=1S/C18H17N5S/c1-13(17-12-24-14(2)21-17)22-10-8-19-18(22)15-5-3-6-16(11-15)23-9-4-7-20-23/h3-13H,1-2H3/t13-/m0/s1
InChIKeyUEDRYIZLIQJGDI-ZDUSSCGKSA-N
MW335.44 g/mol
LogP4.11
Rot. Bonds4

About 2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole

2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole (PubChem CID 95558083) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is 2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole
PubChem CID95558083
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole
SMILESCc1nc([C@H](C)n2ccnc2-c2cccc(-n3cccn3)c2)cs1
InChIInChI=1S/C18H17N5S/c1-13(17-12-24-14(2)21-17)22-10-8-19-18(22)15-5-3-6-16(11-15)23-9-4-7-20-23/h3-13H,1-2H3/t13-/m0/s1
InChIKeyUEDRYIZLIQJGDI-ZDUSSCGKSA-N
XLogP4.11
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole (CID 95558083) is 2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole is Cc1nc([C@H](C)n2ccnc2-c2cccc(-n3cccn3)c2)cs1.
What is the InChIKey of 2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole?
The InChIKey is UEDRYIZLIQJGDI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N5S/c1-13(17-12-24-14(2)21-17)22-10-8-19-18(22)15-5-3-6-16(11-15)23-9-4-7-20-23/h3-13H,1-2H3/t13-/m0/s1.
What are the key properties of 2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole?
2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole has a molecular weight of 335.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 95558083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).