2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide

C14H15F2N3O2S — CID 120633179

IUPAC2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(CCN)n2)cc1OC(F)F
InChIInChI=1S/C14H15F2N3O2S/c1-8-2-3-9(6-11(8)21-14(15)16)18-13(20)10-7-22-12(19-10)4-5-17/h2-3,6-7,14H,4-5,17H2,1H3,(H,18,20)
InChIKeyDVWFOKUQGLZBQU-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.81
Rot. Bonds6

About 2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide (PubChem CID 120633179) has the molecular formula C14H15F2N3O2S and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
PubChem CID120633179
Molecular FormulaC14H15F2N3O2S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(CCN)n2)cc1OC(F)F
InChIInChI=1S/C14H15F2N3O2S/c1-8-2-3-9(6-11(8)21-14(15)16)18-13(20)10-7-22-12(19-10)4-5-17/h2-3,6-7,14H,4-5,17H2,1H3,(H,18,20)
InChIKeyDVWFOKUQGLZBQU-UHFFFAOYSA-N
XLogP2.81
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635893
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 114839656
2-(2-aminoethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120619249
2-(2-aminoethyl)-N-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 120621387
2-(2-aminoethyl)-N-[2,4-bis(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623754
2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634504
2-(2-aminoethyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120622378
2-(2-aminoethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617100
2-(2-aminoethyl)-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 66388298
2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618119
4-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-fluorobenzoic acid
CID 107795142
2-(2-aminoethyl)-N-[3-chloro-4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621378

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide (CID 120633179) is 2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2csc(CCN)n2)cc1OC(F)F.
What is the InChIKey of 2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DVWFOKUQGLZBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S/c1-8-2-3-9(6-11(8)21-14(15)16)18-13(20)10-7-22-12(19-10)4-5-17/h2-3,6-7,14H,4-5,17H2,1H3,(H,18,20).
What are the key properties of 2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.81, 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-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120633179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).