N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride

C12H17Cl2N3OS2 — CID 120830738

IUPACN-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cnc(-c2ccsc2)s1.Cl.Cl
InChIInChI=1S/C12H15N3OS2.2ClH/c1-8(13-2)5-14-11(16)10-6-15-12(18-10)9-3-4-17-7-9;;/h3-4,6-8,13H,5H2,1-2H3,(H,14,16);2*1H
InChIKeyAUPBIUFBEWCKAR-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.05
Rot. Bonds5

About N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride

N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 120830738) has the molecular formula C12H17Cl2N3OS2 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID120830738
Molecular FormulaC12H17Cl2N3OS2
Molecular Weight354.33 g/mol
Exact Mass353.02
IUPAC NameN-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cnc(-c2ccsc2)s1.Cl.Cl
InChIInChI=1S/C12H15N3OS2.2ClH/c1-8(13-2)5-14-11(16)10-6-15-12(18-10)9-3-4-17-7-9;;/h3-4,6-8,13H,5H2,1-2H3,(H,14,16);2*1H
InChIKeyAUPBIUFBEWCKAR-UHFFFAOYSA-N
XLogP3.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120828248
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CID 111471875
N-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111695946
N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111484821
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111481280
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 75463616
N-(5-phenyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 86940531
N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111118283
N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 86940566
2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
CID 110021490
N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine
CID 62653180
N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115744537

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 120830738) is N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride is CNC(C)CNC(=O)c1cnc(-c2ccsc2)s1.Cl.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is AUPBIUFBEWCKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2.2ClH/c1-8(13-2)5-14-11(16)10-6-15-12(18-10)9-3-4-17-7-9;;/h3-4,6-8,13H,5H2,1-2H3,(H,14,16);2*1H.
What are the key properties of N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 354.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120830738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).