2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine

C20H22F2N2OS — CID 141146072

IUPAC2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine
SMILESCCCCN1CC(Nc2ccc(OC(F)F)cc2)=C(c2ccccc2)S1
InChIInChI=1S/C20H22F2N2OS/c1-2-3-13-24-14-18(19(26-24)15-7-5-4-6-8-15)23-16-9-11-17(12-10-16)25-20(21)22/h4-12,20,23H,2-3,13-14H2,1H3
InChIKeyYZHXJYSXUYYVQY-UHFFFAOYSA-N
MW376.47 g/mol
LogP5.83
Rot. Bonds8

About 2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine

2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine (PubChem CID 141146072) has the molecular formula C20H22F2N2OS and a molecular weight of 376.47 g/mol. Its IUPAC name is 2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine.

Molecular Properties

Compound Name2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine
PubChem CID141146072
Molecular FormulaC20H22F2N2OS
Molecular Weight376.47 g/mol
Exact Mass376.14
IUPAC Name2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine
SMILESCCCCN1CC(Nc2ccc(OC(F)F)cc2)=C(c2ccccc2)S1
InChIInChI=1S/C20H22F2N2OS/c1-2-3-13-24-14-18(19(26-24)15-7-5-4-6-8-15)23-16-9-11-17(12-10-16)25-20(21)22/h4-12,20,23H,2-3,13-14H2,1H3
InChIKeyYZHXJYSXUYYVQY-UHFFFAOYSA-N
XLogP5.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.47
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-3H-1,2-thiazol-4-amine
CID 154237285
2-butyl-4-[4-(difluoromethoxy)anilino]-1,1-dioxo-5-phenyl-1,2-thiazole-3-thione
CID 11597324
N-butyl-4-(difluoromethoxy)aniline
CID 28623906
1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine
CID 106561131
2-butyl-5-(3-chlorophenyl)-4-[4-(difluoromethoxy)anilino]-1,1-dioxo-1,2-thiazol-3-one
CID 11655461
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
4-(difluoromethoxy)-N-heptan-2-ylaniline
CID 43099613
3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione
CID 71416744
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2498787
difluoromethoxybenzene;ethane
CID 142246454
1-[4-(difluoromethoxy)phenyl]-3-[(1S)-1-phenylbutyl]thiourea
CID 9231601
5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027035

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine?
The IUPAC name of 2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine (CID 141146072) is 2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine.
What is the SMILES notation for 2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine?
The canonical SMILES for 2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine is CCCCN1CC(Nc2ccc(OC(F)F)cc2)=C(c2ccccc2)S1.
What is the InChIKey of 2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine?
The InChIKey is YZHXJYSXUYYVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2OS/c1-2-3-13-24-14-18(19(26-24)15-7-5-4-6-8-15)23-16-9-11-17(12-10-16)25-20(21)22/h4-12,20,23H,2-3,13-14H2,1H3.
What are the key properties of 2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine?
2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine has a molecular weight of 376.47 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[4-(difluoromethoxy)phenyl]-5-phenyl-3H-1,2-thiazol-4-amine is sourced from PubChem (CID 141146072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).