N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline

C15H18F2N2OS — CID 115686029

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline
SMILESCC(C)(C)c1nc(CNc2ccccc2OC(F)F)cs1
InChIInChI=1S/C15H18F2N2OS/c1-15(2,3)13-19-10(9-21-13)8-18-11-6-4-5-7-12(11)20-14(16)17/h4-7,9,14,18H,8H2,1-3H3
InChIKeyCXDMRWJBDKLLLY-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.65
Rot. Bonds5

About N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline (PubChem CID 115686029) has the molecular formula C15H18F2N2OS and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline
PubChem CID115686029
Molecular FormulaC15H18F2N2OS
Molecular Weight312.38 g/mol
Exact Mass312.11
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline
SMILESCC(C)(C)c1nc(CNc2ccccc2OC(F)F)cs1
InChIInChI=1S/C15H18F2N2OS/c1-15(2,3)13-19-10(9-21-13)8-18-11-6-4-5-7-12(11)20-14(16)17/h4-7,9,14,18H,8H2,1-3H3
InChIKeyCXDMRWJBDKLLLY-UHFFFAOYSA-N
XLogP4.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81311383
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
2-(difluoromethoxy)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82888104
2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine
CID 82476196
2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741993
4-[[2-(trifluoromethoxy)anilino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103233530
1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 106484727
2-(difluoromethoxy)-N-(2-methylbutyl)aniline
CID 43097160
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
CID 78833758
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 115703933

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline (CID 115686029) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline is CC(C)(C)c1nc(CNc2ccccc2OC(F)F)cs1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline?
The InChIKey is CXDMRWJBDKLLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2OS/c1-15(2,3)13-19-10(9-21-13)8-18-11-6-4-5-7-12(11)20-14(16)17/h4-7,9,14,18H,8H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline has a molecular weight of 312.38 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline is sourced from PubChem (CID 115686029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).