N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline

C17H24N2OS — CID 43147203

IUPACN-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCOC(C)(C)CC(C)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C17H24N2OS/c1-12(10-17(3,4)20-5)18-15-8-6-14(7-9-15)16-11-21-13(2)19-16/h6-9,11-12,18H,10H2,1-5H3
InChIKeyFHOTYXVKGKWEJE-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.73
Rot. Bonds6

About N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline

N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline (PubChem CID 43147203) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline
PubChem CID43147203
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCOC(C)(C)CC(C)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C17H24N2OS/c1-12(10-17(3,4)20-5)18-15-8-6-14(7-9-15)16-11-21-13(2)19-16/h6-9,11-12,18H,10H2,1-5H3
InChIKeyFHOTYXVKGKWEJE-UHFFFAOYSA-N
XLogP4.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
CID 28682074
methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate
CID 66171884
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43097732
4-methoxy-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentan-2-amine
CID 113260118
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993196
4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline
CID 43205876
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline
CID 62329167
3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline
CID 43716067
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25407937
(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25360251

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline (CID 43147203) is N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline is COC(C)(C)CC(C)Nc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline?
The InChIKey is FHOTYXVKGKWEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-12(10-17(3,4)20-5)18-15-8-6-14(7-9-15)16-11-21-13(2)19-16/h6-9,11-12,18H,10H2,1-5H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline?
N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline has a molecular weight of 304.46 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 43147203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).