2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride

C16H21Cl2FN4OS — CID 119884161

IUPAC2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)NC2CCCN(c3cccc(F)c3)C2)cs1
InChIInChI=1S/C16H19FN4OS.2ClH/c17-11-3-1-5-13(7-11)21-6-2-4-12(9-21)19-16(22)14-10-23-15(8-18)20-14;;/h1,3,5,7,10,12H,2,4,6,8-9,18H2,(H,19,22);2*1H
InChIKeyZMVIBRYYVHJHHO-UHFFFAOYSA-N
MW407.34 g/mol
LogP2.98
Rot. Bonds4

About 2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119884161) has the molecular formula C16H21Cl2FN4OS and a molecular weight of 407.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119884161
Molecular FormulaC16H21Cl2FN4OS
Molecular Weight407.34 g/mol
Exact Mass406.08
IUPAC Name2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCc1nc(C(=O)NC2CCCN(c3cccc(F)c3)C2)cs1
InChIInChI=1S/C16H19FN4OS.2ClH/c17-11-3-1-5-13(7-11)21-6-2-4-12(9-21)19-16(22)14-10-23-15(8-18)20-14;;/h1,3,5,7,10,12H,2,4,6,8-9,18H2,(H,19,22);2*1H
InChIKeyZMVIBRYYVHJHHO-UHFFFAOYSA-N
XLogP2.98
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 124612387
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119864834
N-[1-(3-fluorophenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119884129
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119884155
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119884178
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide
CID 86961456
1-[1-(3-fluorophenyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 154748763
2-(aminomethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119820666
2-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831852
2-(aminomethyl)-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 119862945
2-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119884161) is 2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.NCc1nc(C(=O)NC2CCCN(c3cccc(F)c3)C2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is ZMVIBRYYVHJHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4OS.2ClH/c17-11-3-1-5-13(7-11)21-6-2-4-12(9-21)19-16(22)14-10-23-15(8-18)20-14;;/h1,3,5,7,10,12H,2,4,6,8-9,18H2,(H,19,22);2*1H.
What are the key properties of 2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 407.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(3-fluorophenyl)piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119884161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).