N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine

C15H18F2N2S — CID 63668272

IUPACN-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc(C)c(C)s1)c1cccc(F)c1F
InChIInChI=1S/C15H18F2N2S/c1-4-8-18-14(15-19-9(2)10(3)20-15)11-6-5-7-12(16)13(11)17/h5-7,14,18H,4,8H2,1-3H3
InChIKeyFIJGMGJXXGHKTL-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.13
Rot. Bonds5

About N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine

N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 63668272) has the molecular formula C15H18F2N2S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID63668272
Molecular FormulaC15H18F2N2S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc(C)c(C)s1)c1cccc(F)c1F
InChIInChI=1S/C15H18F2N2S/c1-4-8-18-14(15-19-9(2)10(3)20-15)11-6-5-7-12(16)13(11)17/h5-7,14,18H,4,8H2,1-3H3
InChIKeyFIJGMGJXXGHKTL-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine (CID 63668272) is N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1nc(C)c(C)s1)c1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is FIJGMGJXXGHKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2S/c1-4-8-18-14(15-19-9(2)10(3)20-15)11-6-5-7-12(16)13(11)17/h5-7,14,18H,4,8H2,1-3H3.
What are the key properties of N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine?
N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 296.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 63668272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).