N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

C15H22N2OS — CID 62327894

IUPACN-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCCC(C)Oc1cccc(NC2=NC(C)(C)CS2)c1
InChIInChI=1S/C15H22N2OS/c1-5-11(2)18-13-8-6-7-12(9-13)16-14-17-15(3,4)10-19-14/h6-9,11H,5,10H2,1-4H3,(H,16,17)
InChIKeyVSOCTUASDOZHCI-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.16
Rot. Bonds4

About N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 62327894) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID62327894
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCCC(C)Oc1cccc(NC2=NC(C)(C)CS2)c1
InChIInChI=1S/C15H22N2OS/c1-5-11(2)18-13-8-6-7-12(9-13)16-14-17-15(3,4)10-19-14/h6-9,11H,5,10H2,1-4H3,(H,16,17)
InChIKeyVSOCTUASDOZHCI-UHFFFAOYSA-N
XLogP4.16
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 62327728
N-(3-butan-2-yloxyphenyl)-6-hydrazinylpyridin-2-amine
CID 80908739
2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine
CID 81133161
N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine
CID 113305699
N-(3-butan-2-yloxyphenyl)-3-chloro-1,2,4-triazin-5-amine
CID 55060108
3-butan-2-yloxy-N-[(2,6-dichlorophenyl)methyl]aniline
CID 63478157
5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629880
3-N-(3-butan-2-yloxyphenyl)-2-methylbenzene-1,3-diamine
CID 63062068
N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 63548911
3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633972
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol
CID 114493050

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 62327894) is N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is CCC(C)Oc1cccc(NC2=NC(C)(C)CS2)c1.
What is the InChIKey of N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is VSOCTUASDOZHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-5-11(2)18-13-8-6-7-12(9-13)16-14-17-15(3,4)10-19-14/h6-9,11H,5,10H2,1-4H3,(H,16,17).
What are the key properties of N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 278.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 62327894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).