1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine

C15H18F2N2OS — CID 75383153

IUPAC1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCC(NCc1scnc1C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H18F2N2OS/c1-3-13(18-8-14-10(2)19-9-21-14)11-4-6-12(7-5-11)20-15(16)17/h4-7,9,13,15,18H,3,8H2,1-2H3
InChIKeyBIKYMOHKIHIPBP-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.29
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine

1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 75383153) has the molecular formula C15H18F2N2OS and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID75383153
Molecular FormulaC15H18F2N2OS
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCC(NCc1scnc1C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H18F2N2OS/c1-3-13(18-8-14-10(2)19-9-21-14)11-4-6-12(7-5-11)20-15(16)17/h4-7,9,13,15,18H,3,8H2,1-2H3
InChIKeyBIKYMOHKIHIPBP-UHFFFAOYSA-N
XLogP4.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63279798
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
(1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 97096345
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine
CID 63280424
1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63279983
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 63280223
(1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 97231637
1-(5-ethylthiophen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280479
N-[(1S)-1-[4-(difluoromethoxy)phenyl]propyl]thieno[2,3-d]pyrimidin-4-amine
CID 100938418
1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 60776811
1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 111466927

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 75383153) is 1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine is CCC(NCc1scnc1C)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is BIKYMOHKIHIPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2OS/c1-3-13(18-8-14-10(2)19-9-21-14)11-4-6-12(7-5-11)20-15(16)17/h4-7,9,13,15,18H,3,8H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 312.39 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 75383153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).