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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Related Compounds

3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine
CID 104524643
2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine
CID 81140080
4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524420
3-methyl-1'-(2-methylpropyl)spiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine
CID 104524950
1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol
CID 65404041
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18164690
2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
CID 104524932
4-hydroxy-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524636
1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine
CID 104524957
N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
CID 61331244
1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine
CID 54979966
ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate
CID 104524790

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).