2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C14H14ClF4N3O3S — CID 120623754

IUPAC2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cs1
InChIInChI=1S/C14H13F4N3O3S.ClH/c15-13(16)23-7-1-2-8(10(5-7)24-14(17)18)21-12(22)9-6-25-11(20-9)3-4-19;/h1-2,5-6,13-14H,3-4,19H2,(H,21,22);1H
InChIKeyHKZFNENNPIEZCC-UHFFFAOYSA-N
MW415.80 g/mol
LogP3.52
Rot. Bonds8

About 2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120623754) has the molecular formula C14H14ClF4N3O3S and a molecular weight of 415.80 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120623754
Molecular FormulaC14H14ClF4N3O3S
Molecular Weight415.80 g/mol
Exact Mass415.04
IUPAC Name2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cs1
InChIInChI=1S/C14H13F4N3O3S.ClH/c15-13(16)23-7-1-2-8(10(5-7)24-14(17)18)21-12(22)9-6-25-11(20-9)3-4-19;/h1-2,5-6,13-14H,3-4,19H2,(H,21,22);1H
InChIKeyHKZFNENNPIEZCC-UHFFFAOYSA-N
XLogP3.52
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.80
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120627670
2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 120633179
2-(2-aminoethyl)-N-(4-fluoro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66389147
2-(2-aminoethyl)-N-(5-fluoro-2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120630413
2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 66373606
2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120621971
2-(2-aminoethyl)-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616687
2-(2-aminoethyl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1,3-thiazole-4-carboxamide
CID 120635551
2-(2-aminoethyl)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621442
2-(2-aminoethyl)-N-(2-methyl-4-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 120624354
2-(aminomethyl)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119816333
2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617060

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120623754) is 2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCCc1nc(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is HKZFNENNPIEZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3O3S.ClH/c15-13(16)23-7-1-2-8(10(5-7)24-14(17)18)21-12(22)9-6-25-11(20-9)3-4-19;/h1-2,5-6,13-14H,3-4,19H2,(H,21,22);1H.
What are the key properties of 2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 415.80 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120623754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).