(4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

C16H20N2OS — CID 104946037

IUPAC(4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)(C)c1nc(C2C[C@H](N)c3ccccc3O2)cs1
InChIInChI=1S/C16H20N2OS/c1-16(2,3)15-18-12(9-20-15)14-8-11(17)10-6-4-5-7-13(10)19-14/h4-7,9,11,14H,8,17H2,1-3H3/t11-,14?/m0/s1
InChIKeyXGRPIEFUKCOJRS-ZSOXZCCMSA-N
MW288.42 g/mol
LogP3.96
Rot. Bonds1

About (4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

(4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946037) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is (4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946037
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name(4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)(C)c1nc(C2C[C@H](N)c3ccccc3O2)cs1
InChIInChI=1S/C16H20N2OS/c1-16(2,3)15-18-12(9-20-15)14-8-11(17)10-6-4-5-7-13(10)19-14/h4-7,9,11,14H,8,17H2,1-3H3/t11-,14?/m0/s1
InChIKeyXGRPIEFUKCOJRS-ZSOXZCCMSA-N
XLogP3.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 104946037) is (4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is CC(C)(C)c1nc(C2C[C@H](N)c3ccccc3O2)cs1.
What is the InChIKey of (4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XGRPIEFUKCOJRS-ZSOXZCCMSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-16(2,3)15-18-12(9-20-15)14-8-11(17)10-6-4-5-7-13(10)19-14/h4-7,9,11,14H,8,17H2,1-3H3/t11-,14?/m0/s1.
What are the key properties of (4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 288.42 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).