2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C14H21Cl2N5OS — CID 119845933

IUPAC2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCN(CC)c1ccc(NC(=O)c2csc(CN)n2)cn1.Cl.Cl
InChIInChI=1S/C14H19N5OS.2ClH/c1-3-19(4-2)12-6-5-10(8-16-12)17-14(20)11-9-21-13(7-15)18-11;;/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,17,20);2*1H
InChIKeyUUJPTFVNIZPZCA-UHFFFAOYSA-N
MW378.33 g/mol
LogP2.94
Rot. Bonds6

About 2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119845933) has the molecular formula C14H21Cl2N5OS and a molecular weight of 378.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119845933
Molecular FormulaC14H21Cl2N5OS
Molecular Weight378.33 g/mol
Exact Mass377.08
IUPAC Name2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCN(CC)c1ccc(NC(=O)c2csc(CN)n2)cn1.Cl.Cl
InChIInChI=1S/C14H19N5OS.2ClH/c1-3-19(4-2)12-6-5-10(8-16-12)17-14(20)11-9-21-13(7-15)18-11;;/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,17,20);2*1H
InChIKeyUUJPTFVNIZPZCA-UHFFFAOYSA-N
XLogP2.94
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 66376658
2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 166340616
2-(aminomethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66377436
2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119754236
2-(aminomethyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119844245
2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119839710
2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119707103
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66378221
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
2-(aminomethyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119713421
2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119679447
N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 60971845

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119845933) is 2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CCN(CC)c1ccc(NC(=O)c2csc(CN)n2)cn1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is UUJPTFVNIZPZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS.2ClH/c1-3-19(4-2)12-6-5-10(8-16-12)17-14(20)11-9-21-13(7-15)18-11;;/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,17,20);2*1H.
What are the key properties of 2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 378.33 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119845933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).