2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride

C15H19ClFN3OS — CID 120622303

IUPAC2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(Cc1ccccc1F)NC(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C15H18FN3OS.ClH/c1-10(8-11-4-2-3-5-12(11)16)18-15(20)13-9-21-14(19-13)6-7-17;/h2-5,9-10H,6-8,17H2,1H3,(H,18,20);1H
InChIKeyUKGXJJYFBUAZBB-UHFFFAOYSA-N
MW343.86 g/mol
LogP2.57
Rot. Bonds6

About 2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120622303) has the molecular formula C15H19ClFN3OS and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120622303
Molecular FormulaC15H19ClFN3OS
Molecular Weight343.86 g/mol
Exact Mass343.09
IUPAC Name2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(Cc1ccccc1F)NC(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C15H18FN3OS.ClH/c1-10(8-11-4-2-3-5-12(11)16)18-15(20)13-9-21-14(19-13)6-7-17;/h2-5,9-10H,6-8,17H2,1H3,(H,18,20);1H
InChIKeyUKGXJJYFBUAZBB-UHFFFAOYSA-N
XLogP2.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
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2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66377259
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 120633185
2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120632758
methyl (2R)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate;hydrochloride
CID 120632197
2-(2-aminoethyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide
CID 120622071
2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388082
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66389448
2-(2-aminoethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120622303) is 2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride is CC(Cc1ccccc1F)NC(=O)c1csc(CCN)n1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is UKGXJJYFBUAZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS.ClH/c1-10(8-11-4-2-3-5-12(11)16)18-15(20)13-9-21-14(19-13)6-7-17;/h2-5,9-10H,6-8,17H2,1H3,(H,18,20);1H.
What are the key properties of 2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120622303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).