2-propyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-amine

C15H20N2O3S — CID 62081849

IUPAC2-propyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-amine
SMILESCCCc1nc(-c2cc(OC)c(OC)cc2OC)c(N)s1
InChIInChI=1S/C15H20N2O3S/c1-5-6-13-17-14(15(16)21-13)9-7-11(19-3)12(20-4)8-10(9)18-2/h7-8H,5-6,16H2,1-4H3
InChIKeyMGFDZUFUPGORAJ-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.37
Rot. Bonds6

About 2-propyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-amine

2-propyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-amine (PubChem CID 62081849) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-propyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-propyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-amine
PubChem CID62081849
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-propyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-amine
SMILESCCCc1nc(-c2cc(OC)c(OC)cc2OC)c(N)s1
InChIInChI=1S/C15H20N2O3S/c1-5-6-13-17-14(15(16)21-13)9-7-11(19-3)12(20-4)8-10(9)18-2/h7-8H,5-6,16H2,1-4H3
InChIKeyMGFDZUFUPGORAJ-UHFFFAOYSA-N
XLogP3.37
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-propyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-amine (CID 62081849) is 2-propyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-propyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-propyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-amine is CCCc1nc(-c2cc(OC)c(OC)cc2OC)c(N)s1.
What is the InChIKey of 2-propyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-amine?
The InChIKey is MGFDZUFUPGORAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-5-6-13-17-14(15(16)21-13)9-7-11(19-3)12(20-4)8-10(9)18-2/h7-8H,5-6,16H2,1-4H3.
What are the key properties of 2-propyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-amine?
2-propyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-amine has a molecular weight of 308.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 62081849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).