[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride

C17H21Cl2N5OS2 — CID 120730307

IUPAC[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCN(C)c1nc2sc(C(=O)N3CCNCC3c3cccnc3)cc2s1.Cl.Cl
InChIInChI=1S/C17H19N5OS2.2ClH/c1-21(2)17-20-15-13(25-17)8-14(24-15)16(23)22-7-6-19-10-12(22)11-4-3-5-18-9-11;;/h3-5,8-9,12,19H,6-7,10H2,1-2H3;2*1H
InChIKeyATPMNSFUQQLTKO-UHFFFAOYSA-N
MW446.43 g/mol
LogP3.45
Rot. Bonds3

About [2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride

[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 120730307) has the molecular formula C17H21Cl2N5OS2 and a molecular weight of 446.43 g/mol. Its IUPAC name is [2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID120730307
Molecular FormulaC17H21Cl2N5OS2
Molecular Weight446.43 g/mol
Exact Mass445.06
IUPAC Name[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCN(C)c1nc2sc(C(=O)N3CCNCC3c3cccnc3)cc2s1.Cl.Cl
InChIInChI=1S/C17H19N5OS2.2ClH/c1-21(2)17-20-15-13(25-17)8-14(24-15)16(23)22-7-6-19-10-12(22)11-4-3-5-18-9-11;;/h3-5,8-9,12,19H,6-7,10H2,1-2H3;2*1H
InChIKeyATPMNSFUQQLTKO-UHFFFAOYSA-N
XLogP3.45
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
(5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731166
(4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729251
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride
CID 120730755
(4-bromothiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731046
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731331
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730375
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of [2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride (CID 120730307) is [2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride is CN(C)c1nc2sc(C(=O)N3CCNCC3c3cccnc3)cc2s1.Cl.Cl.
What is the InChIKey of [2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is ATPMNSFUQQLTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2.2ClH/c1-21(2)17-20-15-13(25-17)8-14(24-15)16(23)22-7-6-19-10-12(22)11-4-3-5-18-9-11;;/h3-5,8-9,12,19H,6-7,10H2,1-2H3;2*1H.
What are the key properties of [2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride?
[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 446.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 120730307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).