(4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine

C14H16N2O2S — CID 104944677

IUPAC(4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(c1nc(C)cs1)C[C@@H]2N
InChIInChI=1S/C14H16N2O2S/c1-8-7-19-14(16-8)13-6-11(15)10-4-3-9(17-2)5-12(10)18-13/h3-5,7,11,13H,6,15H2,1-2H3/t11-,13?/m0/s1
InChIKeyAHHKVNWQUHBOFF-AMGKYWFPSA-N
MW276.36 g/mol
LogP2.98
Rot. Bonds2

About (4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine

(4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104944677) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is (4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104944677
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name(4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(c1nc(C)cs1)C[C@@H]2N
InChIInChI=1S/C14H16N2O2S/c1-8-7-19-14(16-8)13-6-11(15)10-4-3-9(17-2)5-12(10)18-13/h3-5,7,11,13H,6,15H2,1-2H3/t11-,13?/m0/s1
InChIKeyAHHKVNWQUHBOFF-AMGKYWFPSA-N
XLogP2.98
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945527
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809
4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
CID 114708803
(4R)-2-(4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944806
(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944586
(4R)-7-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104944786
(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944590
(4S)-6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946802
(4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944865
(4R)-2-(5-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104980319
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 102846101

Frequently Asked Questions

What is the IUPAC name of (4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 104944677) is (4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)OC(c1nc(C)cs1)C[C@@H]2N.
What is the InChIKey of (4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AHHKVNWQUHBOFF-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-8-7-19-14(16-8)13-6-11(15)10-4-3-9(17-2)5-12(10)18-13/h3-5,7,11,13H,6,15H2,1-2H3/t11-,13?/m0/s1.
What are the key properties of (4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 276.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104944677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).