2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole

C16H12N4S2 — CID 29219201

IUPAC2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
SMILESc1cc(-c2ccn(Cc3cscn3)n2)cc(-c2nccs2)c1
InChIInChI=1S/C16H12N4S2/c1-2-12(8-13(3-1)16-17-5-7-22-16)15-4-6-20(19-15)9-14-10-21-11-18-14/h1-8,10-11H,9H2
InChIKeyAMAVHMRKNBTEBC-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.18
Rot. Bonds4

About 2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole

2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole (PubChem CID 29219201) has the molecular formula C16H12N4S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
PubChem CID29219201
Molecular FormulaC16H12N4S2
Molecular Weight324.43 g/mol
Exact Mass324.05
IUPAC Name2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
SMILESc1cc(-c2ccn(Cc3cscn3)n2)cc(-c2nccs2)c1
InChIInChI=1S/C16H12N4S2/c1-2-12(8-13(3-1)16-17-5-7-22-16)15-4-6-20(19-15)9-14-10-21-11-18-14/h1-8,10-11H,9H2
InChIKeyAMAVHMRKNBTEBC-UHFFFAOYSA-N
XLogP4.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole
CID 29150984
2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
CID 28732154
4-[[3-[3-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]methyl]-1,3-thiazole
CID 29170467
2-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]-1,3-thiazole
CID 155915530
2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole
CID 28732543
N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127
2-[(3-phenylpyrazol-1-yl)methyl]pyridine
CID 118497014
2-(3-chlorophenyl)-1,3-thiazole
CID 23135786
2-chloro-3-[(3-thiophen-3-ylpyrazol-1-yl)methyl]pyridine
CID 91642715
2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole
CID 121297684
3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol
CID 64993453
2-[[3-(3-pyrazin-2-ylphenyl)pyrazol-1-yl]methyl]-1,3-benzothiazole
CID 29254823

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole?
The IUPAC name of 2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole (CID 29219201) is 2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole is c1cc(-c2ccn(Cc3cscn3)n2)cc(-c2nccs2)c1.
What is the InChIKey of 2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole?
The InChIKey is AMAVHMRKNBTEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S2/c1-2-12(8-13(3-1)16-17-5-7-22-16)15-4-6-20(19-15)9-14-10-21-11-18-14/h1-8,10-11H,9H2.
What are the key properties of 2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole?
2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole has a molecular weight of 324.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(1,3-thiazol-4-ylmethyl)pyrazol-3-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 29219201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).