2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole

C14H13N3OS — CID 47287665

IUPAC2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole
SMILESCn1cc(-c2nc(COc3ccccc3)cs2)cn1
InChIInChI=1S/C14H13N3OS/c1-17-8-11(7-15-17)14-16-12(10-19-14)9-18-13-5-3-2-4-6-13/h2-8,10H,9H2,1H3
InChIKeyGPUSRXIWVOZLCC-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.12
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole

2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole (PubChem CID 47287665) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole
PubChem CID47287665
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole
SMILESCn1cc(-c2nc(COc3ccccc3)cs2)cn1
InChIInChI=1S/C14H13N3OS/c1-17-8-11(7-15-17)14-16-12(10-19-14)9-18-13-5-3-2-4-6-13/h2-8,10H,9H2,1H3
InChIKeyGPUSRXIWVOZLCC-UHFFFAOYSA-N
XLogP3.12
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-4-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)-1,3-thiazole
CID 154747726
4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 115662825
2-(1-methylpyrazol-4-yl)-4-(3-phenylpropylsulfonylmethyl)-1,3-thiazole
CID 52783972
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513
1-[4-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]phenyl]ethanol
CID 18956566
2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol
CID 130501332
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 55817897
(1R)-1-(2-chlorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 97021228
4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 43322647
2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole
CID 134051441
[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 55818214

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole (CID 47287665) is 2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole is Cn1cc(-c2nc(COc3ccccc3)cs2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole?
The InChIKey is GPUSRXIWVOZLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-17-8-11(7-15-17)14-16-12(10-19-14)9-18-13-5-3-2-4-6-13/h2-8,10H,9H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole?
2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole has a molecular weight of 271.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole is sourced from PubChem (CID 47287665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).