[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride

C14H18Cl3N3OS2 — CID 119492881

IUPAC[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
SMILESCNC1CCCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)C1.Cl.Cl
InChIInChI=1S/C14H16ClN3OS2.2ClH/c1-16-9-3-2-6-18(7-9)14(19)10-8-20-13(17-10)11-4-5-12(15)21-11;;/h4-5,8-9,16H,2-3,6-7H2,1H3;2*1H
InChIKeyMNFUDCHTKVHZGT-UHFFFAOYSA-N
MW414.81 g/mol
LogP4.19
Rot. Bonds3

About [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride

[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119492881) has the molecular formula C14H18Cl3N3OS2 and a molecular weight of 414.81 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119492881
Molecular FormulaC14H18Cl3N3OS2
Molecular Weight414.81 g/mol
Exact Mass413.00
IUPAC Name[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
SMILESCNC1CCCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)C1.Cl.Cl
InChIInChI=1S/C14H16ClN3OS2.2ClH/c1-16-9-3-2-6-18(7-9)14(19)10-8-20-13(17-10)11-4-5-12(15)21-11;;/h4-5,8-9,16H,2-3,6-7H2,1H3;2*1H
InChIKeyMNFUDCHTKVHZGT-UHFFFAOYSA-N
XLogP4.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.81
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-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-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575758
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119490176
[(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 124574925
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 126768311
[3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 119489708
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 139004678
[3-(methylamino)piperidin-1-yl]-[2-(2-phenylethyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119490541
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256568
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]methanone
CID 124691936
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119398069
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488881
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(2-hydrazinyl-4-methyl-4,5-dihydroimidazol-1-yl)methanone
CID 166372681

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride (CID 119492881) is [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride is CNC1CCCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)C1.Cl.Cl.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is MNFUDCHTKVHZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS2.2ClH/c1-16-9-3-2-6-18(7-9)14(19)10-8-20-13(17-10)11-4-5-12(15)21-11;;/h4-5,8-9,16H,2-3,6-7H2,1H3;2*1H.
What are the key properties of [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 414.81 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119492881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).