2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine

C17H24N2OS — CID 61338857

IUPAC2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCC(C)Oc1ccc(-c2csc(C(N)C(C)(C)C)n2)cc1
InChIInChI=1S/C17H24N2OS/c1-11(2)20-13-8-6-12(7-9-13)14-10-21-16(19-14)15(18)17(3,4)5/h6-11,15H,18H2,1-5H3
InChIKeyYFQNMPXOMHIZBN-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.64
Rot. Bonds4

About 2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine

2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 61338857) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID61338857
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCC(C)Oc1ccc(-c2csc(C(N)C(C)(C)C)n2)cc1
InChIInChI=1S/C17H24N2OS/c1-11(2)20-13-8-6-12(7-9-13)14-10-21-16(19-14)15(18)17(3,4)5/h6-11,15H,18H2,1-5H3
InChIKeyYFQNMPXOMHIZBN-UHFFFAOYSA-N
XLogP4.64
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61337689
2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole
CID 116969959
N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine
CID 62351380
1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61338048
1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 55130311
(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171250029
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61336911
(1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine
CID 67292696
2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19203500
4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62945283
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61339037
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzenesulfonamide
CID 28861656

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine (CID 61338857) is 2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine is CC(C)Oc1ccc(-c2csc(C(N)C(C)(C)C)n2)cc1.
What is the InChIKey of 2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is YFQNMPXOMHIZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11(2)20-13-8-6-12(7-9-13)14-10-21-16(19-14)15(18)17(3,4)5/h6-11,15H,18H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine?
2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 61338857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).