2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole

C16H17N3S — CID 162667454

IUPAC2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(C)c(-c2cc(CCc3ccccc3)[nH]n2)s1
InChIInChI=1S/C16H17N3S/c1-11-16(20-12(2)17-11)15-10-14(18-19-15)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,18,19)
InChIKeyZRIIDIAWWVXMGI-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.94
Rot. Bonds4

About 2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole

2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole (PubChem CID 162667454) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole
PubChem CID162667454
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(C)c(-c2cc(CCc3ccccc3)[nH]n2)s1
InChIInChI=1S/C16H17N3S/c1-11-16(20-12(2)17-11)15-10-14(18-19-15)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,18,19)
InChIKeyZRIIDIAWWVXMGI-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Phenyl-5-(1H-pyrazol-3-YL)-1,3-thiazole
CID 2763788
2,4-Dimethyl-5-{3-[(1r)-1-Phenylethyl]-1h-Pyrazol-5-Yl}-1,3-Thiazole
CID 121595982
4-methyl-2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole
CID 1480004
2,4-Dimethyl-5-[3-(2-Phenylpropan-2-Yl)-1h-Pyrazol-5-Yl]-1,3-Thiazole
CID 121595983
2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 2327977
2,4-dimethyl-5-[5-(1-phenylcyclopropyl)-1H-pyrazol-3-yl]-1,3-thiazole
CID 162656746
2,4-dimethyl-5-[5-(1-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole
CID 162657792
4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 45588555
4-(4-Tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
CID 2370269
5-(5-ethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 46889101
4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 46889102
5-[[3-(3,4-Difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole
CID 56751406

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole (CID 162667454) is 2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole is Cc1nc(C)c(-c2cc(CCc3ccccc3)[nH]n2)s1.
What is the InChIKey of 2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole?
The InChIKey is ZRIIDIAWWVXMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-16(20-12(2)17-11)15-10-14(18-19-15)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole?
2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole has a molecular weight of 283.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 162667454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).