(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride

C20H22Cl2N4OS — CID 120731331

IUPAC(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCNCC1c1cccnc1.Cl.Cl
InChIInChI=1S/C20H20N4OS.2ClH/c1-14-18(26-19(23-14)15-6-3-2-4-7-15)20(25)24-11-10-22-13-17(24)16-8-5-9-21-12-16;;/h2-9,12,17,22H,10-11,13H2,1H3;2*1H
InChIKeyUMEBXNNRYRLECX-UHFFFAOYSA-N
MW437.40 g/mol
LogP4.14
Rot. Bonds3

About (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride

(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 120731331) has the molecular formula C20H22Cl2N4OS and a molecular weight of 437.40 g/mol. Its IUPAC name is (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID120731331
Molecular FormulaC20H22Cl2N4OS
Molecular Weight437.40 g/mol
Exact Mass436.09
IUPAC Name(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCNCC1c1cccnc1.Cl.Cl
InChIInChI=1S/C20H20N4OS.2ClH/c1-14-18(26-19(23-14)15-6-3-2-4-7-15)20(25)24-11-10-22-13-17(24)16-8-5-9-21-12-16;;/h2-9,12,17,22H,10-11,13H2,1H3;2*1H
InChIKeyUMEBXNNRYRLECX-UHFFFAOYSA-N
XLogP4.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730375
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 120880763
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728859
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
[2-(4-ethylphenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120740905
[2-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120801878
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120736920
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
[2-(4-ethylphenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 120741303
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120878191

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride (CID 120731331) is (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride is Cc1nc(-c2ccccc2)sc1C(=O)N1CCNCC1c1cccnc1.Cl.Cl.
What is the InChIKey of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is UMEBXNNRYRLECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS.2ClH/c1-14-18(26-19(23-14)15-6-3-2-4-7-15)20(25)24-11-10-22-13-17(24)16-8-5-9-21-12-16;;/h2-9,12,17,22H,10-11,13H2,1H3;2*1H.
What are the key properties of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 437.40 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 120731331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).