6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride

C12H16Cl2N4OS — CID 119999255

IUPAC6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride
SMILESCCc1nc(CNC(=O)c2cccc(N)n2)cs1.Cl.Cl
InChIInChI=1S/C12H14N4OS.2ClH/c1-2-11-15-8(7-18-11)6-14-12(17)9-4-3-5-10(13)16-9;;/h3-5,7H,2,6H2,1H3,(H2,13,16)(H,14,17);2*1H
InChIKeyOKSBRGPEYFQLTH-UHFFFAOYSA-N
MW335.26 g/mol
LogP2.46
Rot. Bonds4

About 6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride

6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride (PubChem CID 119999255) has the molecular formula C12H16Cl2N4OS and a molecular weight of 335.26 g/mol. Its IUPAC name is 6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride
PubChem CID119999255
Molecular FormulaC12H16Cl2N4OS
Molecular Weight335.26 g/mol
Exact Mass334.04
IUPAC Name6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride
SMILESCCc1nc(CNC(=O)c2cccc(N)n2)cs1.Cl.Cl
InChIInChI=1S/C12H14N4OS.2ClH/c1-2-11-15-8(7-18-11)6-14-12(17)9-4-3-5-10(13)16-9;;/h3-5,7H,2,6H2,1H3,(H2,13,16)(H,14,17);2*1H
InChIKeyOKSBRGPEYFQLTH-UHFFFAOYSA-N
XLogP2.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119125701
6-amino-N-benzylpyridine-2-carboxamide
CID 62240949
4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide
CID 119125481
2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 122567185
6-amino-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 62238608
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 131926202
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50970588
6-amino-N-[(4-propan-2-ylphenyl)methyl]pyridine-2-carboxamide
CID 62240545
6-amino-N-[(1-ethylcyclopropyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 119999117
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119869550
6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 55052629
6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 62240593

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of 6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride (CID 119999255) is 6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for 6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride is CCc1nc(CNC(=O)c2cccc(N)n2)cs1.Cl.Cl.
What is the InChIKey of 6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride?
The InChIKey is OKSBRGPEYFQLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS.2ClH/c1-2-11-15-8(7-18-11)6-14-12(17)9-4-3-5-10(13)16-9;;/h3-5,7H,2,6H2,1H3,(H2,13,16)(H,14,17);2*1H.
What are the key properties of 6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride?
6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 335.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119999255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).