(2,3-dimethylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride

C15H20Cl2N4OS — CID 120569349

IUPAC(2,3-dimethylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
SMILESCC1NCCN(C(=O)c2cnc(-c3ccncc3)s2)C1C.Cl.Cl
InChIInChI=1S/C15H18N4OS.2ClH/c1-10-11(2)19(8-7-17-10)15(20)13-9-18-14(21-13)12-3-5-16-6-4-12;;/h3-6,9-11,17H,7-8H2,1-2H3;2*1H
InChIKeyFBXRAOCPVWHREI-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.87
Rot. Bonds2

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

(2,3-dimethylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride (PubChem CID 120569349) has the molecular formula C15H20Cl2N4OS and a molecular weight of 375.33 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
PubChem CID120569349
Molecular FormulaC15H20Cl2N4OS
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name(2,3-dimethylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
SMILESCC1NCCN(C(=O)c2cnc(-c3ccncc3)s2)C1C.Cl.Cl
InChIInChI=1S/C15H18N4OS.2ClH/c1-10-11(2)19(8-7-17-10)15(20)13-9-18-14(21-13)12-3-5-16-6-4-12;;/h3-6,9-11,17H,7-8H2,1-2H3;2*1H
InChIKeyFBXRAOCPVWHREI-UHFFFAOYSA-N
XLogP2.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-methyl-1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122116408
[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 126813650
[2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 119631252
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579116
(2,3-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride
CID 120571289
(1-benzylpyrazol-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570179
1-[5-(2,3-dimethylpiperazine-1-carbonyl)thiophen-2-yl]-3-phenylurea;hydrochloride
CID 120573021
(2,3-dimethylpiperazin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 120569866
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730375
(2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 120571312
(2,3-dimethylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 120570226
[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570547

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride (CID 120569349) is (2,3-dimethylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride is CC1NCCN(C(=O)c2cnc(-c3ccncc3)s2)C1C.Cl.Cl.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride?
The InChIKey is FBXRAOCPVWHREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS.2ClH/c1-10-11(2)19(8-7-17-10)15(20)13-9-18-14(21-13)12-3-5-16-6-4-12;;/h3-6,9-11,17H,7-8H2,1-2H3;2*1H.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride?
(2,3-dimethylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride has a molecular weight of 375.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride is sourced from PubChem (CID 120569349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).