2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride

C14H19Cl2N5O2S — CID 119839710

IUPAC2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)Nc2ccc(N3CCOCC3)nc2)cs1
InChIInChI=1S/C14H17N5O2S.2ClH/c15-7-13-18-11(9-22-13)14(20)17-10-1-2-12(16-8-10)19-3-5-21-6-4-19;;/h1-2,8-9H,3-7,15H2,(H,17,20);2*1H
InChIKeyMVOOTNCTWWRKPU-UHFFFAOYSA-N
MW392.31 g/mol
LogP1.93
Rot. Bonds4

About 2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119839710) has the molecular formula C14H19Cl2N5O2S and a molecular weight of 392.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119839710
Molecular FormulaC14H19Cl2N5O2S
Molecular Weight392.31 g/mol
Exact Mass391.06
IUPAC Name2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)Nc2ccc(N3CCOCC3)nc2)cs1
InChIInChI=1S/C14H17N5O2S.2ClH/c15-7-13-18-11(9-22-13)14(20)17-10-1-2-12(16-8-10)19-3-5-21-6-4-19;;/h1-2,8-9H,3-7,15H2,(H,17,20);2*1H
InChIKeyMVOOTNCTWWRKPU-UHFFFAOYSA-N
XLogP1.93
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119832087
2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119871793
2-(aminomethyl)-N-[6-(4,5-dimethylimidazol-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 166340616
2-(aminomethyl)-N-[6-(diethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119845933
(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119839706
N-(3,4-dimethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145815
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide
CID 46684120
2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119835012
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 18145943
1-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119839666

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119839710) is 2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.NCc1nc(C(=O)Nc2ccc(N3CCOCC3)nc2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is MVOOTNCTWWRKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S.2ClH/c15-7-13-18-11(9-22-13)14(20)17-10-1-2-12(16-8-10)19-3-5-21-6-4-19;;/h1-2,8-9H,3-7,15H2,(H,17,20);2*1H.
What are the key properties of 2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 392.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119839710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).