N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine

C17H24N2OS — CID 82434875

IUPACN-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOc1ccccc1-c1nc(C(C)C)c(CNC(C)C)s1
InChIInChI=1S/C17H24N2OS/c1-11(2)16-15(10-18-12(3)4)21-17(19-16)13-8-6-7-9-14(13)20-5/h6-9,11-12,18H,10H2,1-5H3
InChIKeyGUNLYYZODBKAKY-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.44
Rot. Bonds6

About N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 82434875) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID82434875
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOc1ccccc1-c1nc(C(C)C)c(CNC(C)C)s1
InChIInChI=1S/C17H24N2OS/c1-11(2)16-15(10-18-12(3)4)21-17(19-16)13-8-6-7-9-14(13)20-5/h6-9,11-12,18H,10H2,1-5H3
InChIKeyGUNLYYZODBKAKY-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 82434875) is N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine is COc1ccccc1-c1nc(C(C)C)c(CNC(C)C)s1.
What is the InChIKey of N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is GUNLYYZODBKAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11(2)16-15(10-18-12(3)4)21-17(19-16)13-8-6-7-9-14(13)20-5/h6-9,11-12,18H,10H2,1-5H3.
What are the key properties of N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 82434875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).