4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

C13H15F2N3S — CID 82540359

IUPAC4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(F)c(F)c2)c(C(C)NC)s1
InChIInChI=1S/C13H15F2N3S/c1-7(16-2)12-11(18-13(17-3)19-12)8-4-5-9(14)10(15)6-8/h4-7,16H,1-3H3,(H,17,18)
InChIKeyHIAINGMWXVQABD-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.41
Rot. Bonds4

About 4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 82540359) has the molecular formula C13H15F2N3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID82540359
Molecular FormulaC13H15F2N3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(F)c(F)c2)c(C(C)NC)s1
InChIInChI=1S/C13H15F2N3S/c1-7(16-2)12-11(18-13(17-3)19-12)8-4-5-9(14)10(15)6-8/h4-7,16H,1-3H3,(H,17,18)
InChIKeyHIAINGMWXVQABD-UHFFFAOYSA-N
XLogP3.41
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 82106741
1-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 82540472
5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 82541961
N-methyl-5-[1-(methylamino)ethyl]-4-quinolin-2-yl-1,3-thiazol-2-amine
CID 82540131
4-(2-methoxyphenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 82540427
1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287591
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 40986682
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
CID 18274113
4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 82133814
4-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-amine
CID 2511053
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 24648632
6-(3,4-difluorophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823159

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (CID 82540359) is 4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is CNc1nc(-c2ccc(F)c(F)c2)c(C(C)NC)s1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is HIAINGMWXVQABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3S/c1-7(16-2)12-11(18-13(17-3)19-12)8-4-5-9(14)10(15)6-8/h4-7,16H,1-3H3,(H,17,18).
What are the key properties of 4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 283.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82540359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).