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

C13H18Cl2N4OS — CID 120828248

IUPACN-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cnc(-c2ccccn2)s1.Cl.Cl
InChIInChI=1S/C13H16N4OS.2ClH/c1-9(14-2)7-16-12(18)11-8-17-13(19-11)10-5-3-4-6-15-10;;/h3-6,8-9,14H,7H2,1-2H3,(H,16,18);2*1H
InChIKeyMNUAMOSYORMAAC-UHFFFAOYSA-N
MW349.29 g/mol
LogP2.39
Rot. Bonds5

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

N-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 120828248) has the molecular formula C13H18Cl2N4OS and a molecular weight of 349.29 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID120828248
Molecular FormulaC13H18Cl2N4OS
Molecular Weight349.29 g/mol
Exact Mass348.06
IUPAC NameN-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1cnc(-c2ccccn2)s1.Cl.Cl
InChIInChI=1S/C13H16N4OS.2ClH/c1-9(14-2)7-16-12(18)11-8-17-13(19-11)10-5-3-4-6-15-10;;/h3-6,8-9,14H,7H2,1-2H3,(H,16,18);2*1H
InChIKeyMNUAMOSYORMAAC-UHFFFAOYSA-N
XLogP2.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120830738
N-[2-(methylamino)propyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 120829946
2,5-dimethyl-N-[2-(methylamino)propyl]-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120831614
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120887407
N-[2-(methylamino)propyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
CID 120826646
N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119558250
[4-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119562862
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
N-methyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]-1,3-thiazole-5-carboxamide
CID 75535793
N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride
CID 120831709
N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 119495185
4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9457265

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 120828248) is N-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride is CNC(C)CNC(=O)c1cnc(-c2ccccn2)s1.Cl.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is MNUAMOSYORMAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS.2ClH/c1-9(14-2)7-16-12(18)11-8-17-13(19-11)10-5-3-4-6-15-10;;/h3-6,8-9,14H,7H2,1-2H3,(H,16,18);2*1H.
What are the key properties of N-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-[2-(methylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 349.29 g/mol, XLogP of 2.39, 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-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120828248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).