2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole

C19H21N5OS — CID 171690826

IUPAC2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole
SMILESCOc1cnc(N2CCN(Cc3nc(-c4ccccc4)cs3)CC2)nc1
InChIInChI=1S/C19H21N5OS/c1-25-16-11-20-19(21-12-16)24-9-7-23(8-10-24)13-18-22-17(14-26-18)15-5-3-2-4-6-15/h2-6,11-12,14H,7-10,13H2,1H3
InChIKeyPYOCVAGCLPJBKD-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.93
Rot. Bonds5

About 2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole

2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole (PubChem CID 171690826) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole
PubChem CID171690826
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole
SMILESCOc1cnc(N2CCN(Cc3nc(-c4ccccc4)cs3)CC2)nc1
InChIInChI=1S/C19H21N5OS/c1-25-16-11-20-19(21-12-16)24-9-7-23(8-10-24)13-18-22-17(14-26-18)15-5-3-2-4-6-15/h2-6,11-12,14H,7-10,13H2,1H3
InChIKeyPYOCVAGCLPJBKD-UHFFFAOYSA-N
XLogP2.93
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-4-phenyl-1,3-thiazole;methane
CID 158416700
4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570130
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463638
4-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570157
2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole
CID 77095750
2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463697
N-benzhydryl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464237
N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463914
1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26137327
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 1477904
2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 71780229
N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30868820

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole (CID 171690826) is 2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole is COc1cnc(N2CCN(Cc3nc(-c4ccccc4)cs3)CC2)nc1.
What is the InChIKey of 2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole?
The InChIKey is PYOCVAGCLPJBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-25-16-11-20-19(21-12-16)24-9-7-23(8-10-24)13-18-22-17(14-26-18)15-5-3-2-4-6-15/h2-6,11-12,14H,7-10,13H2,1H3.
What are the key properties of 2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole?
2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole has a molecular weight of 367.48 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 171690826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).