4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline

C13H15F2N3S — CID 63837489

IUPAC4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncsc1CN(C)c1c(F)cc(CN)cc1F
InChIInChI=1S/C13H15F2N3S/c1-8-12(19-7-17-8)6-18(2)13-10(14)3-9(5-16)4-11(13)15/h3-4,7H,5-6,16H2,1-2H3
InChIKeyRVMGAAYDXHPMMP-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.82
Rot. Bonds4

About 4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline

4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 63837489) has the molecular formula C13H15F2N3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID63837489
Molecular FormulaC13H15F2N3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncsc1CN(C)c1c(F)cc(CN)cc1F
InChIInChI=1S/C13H15F2N3S/c1-8-12(19-7-17-8)6-18(2)13-10(14)3-9(5-16)4-11(13)15/h3-4,7H,5-6,16H2,1-2H3
InChIKeyRVMGAAYDXHPMMP-UHFFFAOYSA-N
XLogP2.82
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 115366884
4,5-difluoro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,2-diamine
CID 112751823
5-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 63842233
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63076116
5-(aminomethyl)-3-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 63837907
3-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 55259980
2-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-[(propan-2-ylamino)methyl]aniline
CID 63838219
4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 107542037
[4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine
CID 64768539
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 63787345
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
CID 63842762
4-(2-aminoethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63785847

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 63837489) is 4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline is Cc1ncsc1CN(C)c1c(F)cc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is RVMGAAYDXHPMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3S/c1-8-12(19-7-17-8)6-18(2)13-10(14)3-9(5-16)4-11(13)15/h3-4,7H,5-6,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline?
4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 283.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,6-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 63837489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).