3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine

C16H20N2OS — CID 104524640

IUPAC3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine
SMILESCC(C)c1csc(C2(N)c3ccccc3OCC2C)n1
InChIInChI=1S/C16H20N2OS/c1-10(2)13-9-20-15(18-13)16(17)11(3)8-19-14-7-5-4-6-12(14)16/h4-7,9-11H,8,17H2,1-3H3
InChIKeyOWDAFMJPUSRAHJ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.50
Rot. Bonds2

About 3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine

3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine (PubChem CID 104524640) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine.

Molecular Properties

Compound Name3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine
PubChem CID104524640
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine
SMILESCC(C)c1csc(C2(N)c3ccccc3OCC2C)n1
InChIInChI=1S/C16H20N2OS/c1-10(2)13-9-20-15(18-13)16(17)11(3)8-19-14-7-5-4-6-12(14)16/h4-7,9-11H,8,17H2,1-3H3
InChIKeyOWDAFMJPUSRAHJ-UHFFFAOYSA-N
XLogP3.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine?
The IUPAC name of 3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine (CID 104524640) is 3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine.
What is the SMILES notation for 3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine?
The canonical SMILES for 3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine is CC(C)c1csc(C2(N)c3ccccc3OCC2C)n1.
What is the InChIKey of 3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine?
The InChIKey is OWDAFMJPUSRAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10(2)13-9-20-15(18-13)16(17)11(3)8-19-14-7-5-4-6-12(14)16/h4-7,9-11H,8,17H2,1-3H3.
What are the key properties of 3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine?
3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine has a molecular weight of 288.42 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine is sourced from PubChem (CID 104524640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).