2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride

C15H19ClFN3O2S — CID 120627670

IUPAC2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(NC(=O)c2csc(CCN)n2)c(F)c1.Cl
InChIInChI=1S/C15H18FN3O2S.ClH/c1-9(2)21-10-3-4-12(11(16)7-10)19-15(20)13-8-22-14(18-13)5-6-17;/h3-4,7-9H,5-6,17H2,1-2H3,(H,19,20);1H
InChIKeyBQOIBPNUVPBHPO-UHFFFAOYSA-N
MW359.85 g/mol
LogP3.24
Rot. Bonds6

About 2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120627670) has the molecular formula C15H19ClFN3O2S and a molecular weight of 359.85 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120627670
Molecular FormulaC15H19ClFN3O2S
Molecular Weight359.85 g/mol
Exact Mass359.09
IUPAC Name2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(NC(=O)c2csc(CCN)n2)c(F)c1.Cl
InChIInChI=1S/C15H18FN3O2S.ClH/c1-9(2)21-10-3-4-12(11(16)7-10)19-15(20)13-8-22-14(18-13)5-6-17;/h3-4,7-9H,5-6,17H2,1-2H3,(H,19,20);1H
InChIKeyBQOIBPNUVPBHPO-UHFFFAOYSA-N
XLogP3.24
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(2-aminoethyl)-N-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
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2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636237
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 120627670) is 2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride is CC(C)Oc1ccc(NC(=O)c2csc(CCN)n2)c(F)c1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is BQOIBPNUVPBHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S.ClH/c1-9(2)21-10-3-4-12(11(16)7-10)19-15(20)13-8-22-14(18-13)5-6-17;/h3-4,7-9H,5-6,17H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 359.85 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120627670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).