2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide

C14H15F2N3OS — CID 66377259

IUPAC2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)c1csc(CN)n1
InChIInChI=1S/C14H15F2N3OS/c1-8(5-9-10(15)3-2-4-11(9)16)18-14(20)12-7-21-13(6-17)19-12/h2-4,7-8H,5-6,17H2,1H3,(H,18,20)
InChIKeyUYECWYZECNCHIJ-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.24
Rot. Bonds5

About 2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 66377259) has the molecular formula C14H15F2N3OS and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID66377259
Molecular FormulaC14H15F2N3OS
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)c1csc(CN)n1
InChIInChI=1S/C14H15F2N3OS/c1-8(5-9-10(15)3-2-4-11(9)16)18-14(20)12-7-21-13(6-17)19-12/h2-4,7-8H,5-6,17H2,1H3,(H,18,20)
InChIKeyUYECWYZECNCHIJ-UHFFFAOYSA-N
XLogP2.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622303
2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 66377228
2-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 119757986
2-(aminomethyl)-N-(4-amino-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740649
N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63038597
2-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115740091
2-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66380626
2-(aminomethyl)-N-pent-4-en-2-yl-1,3-thiazole-4-carboxamide
CID 115740323
3-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]thiophene-2-carboxamide
CID 61103749
methyl 3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]butanoate;hydrochloride
CID 119695198
2-(aminomethyl)-N-(3-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 119790485
2-(aminomethyl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119777161

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide (CID 66377259) is 2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide is CC(Cc1c(F)cccc1F)NC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is UYECWYZECNCHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3OS/c1-8(5-9-10(15)3-2-4-11(9)16)18-14(20)12-7-21-13(6-17)19-12/h2-4,7-8H,5-6,17H2,1H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66377259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).