(4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine

C18H24N2O2S — CID 97231945

IUPAC(4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1csc(CC)n1)CCO2
InChIInChI=1S/C18H24N2O2S/c1-4-18-20-16(11-23-18)12(3)19-15-8-9-22-17-7-6-13(21-5-2)10-14(15)17/h6-7,10-12,15,19H,4-5,8-9H2,1-3H3/t12-,15-/m0/s1
InChIKeyVFAPVHSTEIGESD-WFASDCNBSA-N
MW332.47 g/mol
LogP4.28
Rot. Bonds6

About (4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine

(4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 97231945) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is (4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID97231945
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name(4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1csc(CC)n1)CCO2
InChIInChI=1S/C18H24N2O2S/c1-4-18-20-16(11-23-18)12(3)19-15-8-9-22-17-7-6-13(21-5-2)10-14(15)17/h6-7,10-12,15,19H,4-5,8-9H2,1-3H3/t12-,15-/m0/s1
InChIKeyVFAPVHSTEIGESD-WFASDCNBSA-N
XLogP4.28
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
CID 126793066
N-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 81402765
N-[(1R)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 81403157
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81367470
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 138013320
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide
CID 138013365
3-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 146127534
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide
CID 126784613
N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine
CID 81481795
(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 113349398
N-[(4S)-6-ethoxy-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylphenyl)methanesulfonamide
CID 164640310
N-(2-cyclopropylpropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 115713963

Frequently Asked Questions

What is the IUPAC name of (4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine (CID 97231945) is (4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine is CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1csc(CC)n1)CCO2.
What is the InChIKey of (4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VFAPVHSTEIGESD-WFASDCNBSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-4-18-20-16(11-23-18)12(3)19-15-8-9-22-17-7-6-13(21-5-2)10-14(15)17/h6-7,10-12,15,19H,4-5,8-9H2,1-3H3/t12-,15-/m0/s1.
What are the key properties of (4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
(4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 332.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-ethoxy-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 97231945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).