2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride

C13H17Cl2FN4OS — CID 135356148

IUPAC2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCc1sc(CCN)nc1C(=O)NCc1ncccc1F.Cl.Cl
InChIInChI=1S/C13H15FN4OS.2ClH/c1-8-12(18-11(20-8)4-5-15)13(19)17-7-10-9(14)3-2-6-16-10;;/h2-3,6H,4-5,7,15H2,1H3,(H,17,19);2*1H
InChIKeyKMELWOQYFAJWBZ-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.26
Rot. Bonds5

About 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 135356148) has the molecular formula C13H17Cl2FN4OS and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID135356148
Molecular FormulaC13H17Cl2FN4OS
Molecular Weight367.28 g/mol
Exact Mass366.05
IUPAC Name2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCc1sc(CCN)nc1C(=O)NCc1ncccc1F.Cl.Cl
InChIInChI=1S/C13H15FN4OS.2ClH/c1-8-12(18-11(20-8)4-5-15)13(19)17-7-10-9(14)3-2-6-16-10;;/h2-3,6H,4-5,7,15H2,1H3,(H,17,19);2*1H
InChIKeyKMELWOQYFAJWBZ-UHFFFAOYSA-N
XLogP2.26
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 129052370
2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 129052705
6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 129052585
2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 154845219
1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride
CID 129052683
1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane
CID 145298054
3-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110474815
3-fluoro-2-hydrazinyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309300
2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 129052163
tert-butyl N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-5-methylimidazol-1-yl]ethyl]carbamate
CID 129052316
(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide
CID 98852588
4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309173

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 135356148) is 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride is Cc1sc(CCN)nc1C(=O)NCc1ncccc1F.Cl.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is KMELWOQYFAJWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4OS.2ClH/c1-8-12(18-11(20-8)4-5-15)13(19)17-7-10-9(14)3-2-6-16-10;;/h2-3,6H,4-5,7,15H2,1H3,(H,17,19);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 367.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 135356148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).