3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine

C13H14F2N2OS — CID 62667414

IUPAC3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine
SMILESNCCCc1nc(-c2cccc(OC(F)F)c2)cs1
InChIInChI=1S/C13H14F2N2OS/c14-13(15)18-10-4-1-3-9(7-10)11-8-19-12(17-11)5-2-6-16/h1,3-4,7-8,13H,2,5-6,16H2
InChIKeyULUCWYZIVGRNLH-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.30
Rot. Bonds6

About 3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine

3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 62667414) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine
PubChem CID62667414
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC Name3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine
SMILESNCCCc1nc(-c2cccc(OC(F)F)c2)cs1
InChIInChI=1S/C13H14F2N2OS/c14-13(15)18-10-4-1-3-9(7-10)11-8-19-12(17-11)5-2-6-16/h1,3-4,7-8,13H,2,5-6,16H2
InChIKeyULUCWYZIVGRNLH-UHFFFAOYSA-N
XLogP3.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile
CID 43145525
3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62668340
2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine
CID 62653135
2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole
CID 2742538
4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2742540
4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62946114
3-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62667234
[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 4984676
2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 82118916
2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120621971
(1S)-1-[3-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171225688
3-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62666679

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine (CID 62667414) is 3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine is NCCCc1nc(-c2cccc(OC(F)F)c2)cs1.
What is the InChIKey of 3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is ULUCWYZIVGRNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c14-13(15)18-10-4-1-3-9(7-10)11-8-19-12(17-11)5-2-6-16/h1,3-4,7-8,13H,2,5-6,16H2.
What are the key properties of 3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine?
3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 284.33 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62667414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).