2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine

C14H18FN3S — CID 55110096

IUPAC2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine
SMILESCC(C)N(C)c1ccc(NCc2cncs2)cc1F
InChIInChI=1S/C14H18FN3S/c1-10(2)18(3)14-5-4-11(6-13(14)15)17-8-12-7-16-9-19-12/h4-7,9-10,17H,8H2,1-3H3
InChIKeyZWMYFSJUSFZEFL-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.74
Rot. Bonds5

About 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine

2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine (PubChem CID 55110096) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine
PubChem CID55110096
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC Name2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine
SMILESCC(C)N(C)c1ccc(NCc2cncs2)cc1F
InChIInChI=1S/C14H18FN3S/c1-10(2)18(3)14-5-4-11(6-13(14)15)17-8-12-7-16-9-19-12/h4-7,9-10,17H,8H2,1-3H3
InChIKeyZWMYFSJUSFZEFL-UHFFFAOYSA-N
XLogP3.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine (CID 55110096) is 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine is CC(C)N(C)c1ccc(NCc2cncs2)cc1F.
What is the InChIKey of 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine?
The InChIKey is ZWMYFSJUSFZEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-10(2)18(3)14-5-4-11(6-13(14)15)17-8-12-7-16-9-19-12/h4-7,9-10,17H,8H2,1-3H3.
What are the key properties of 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine?
2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine has a molecular weight of 279.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 55110096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).