[(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol

C15H18N2O3S — CID 136586100

IUPAC[(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol
SMILESCOc1cc(CN[C@H]2c3ccccc3OC[C@H]2CO)sn1
InChIInChI=1S/C15H18N2O3S/c1-19-14-6-11(21-17-14)7-16-15-10(8-18)9-20-13-5-3-2-4-12(13)15/h2-6,10,15-16,18H,7-9H2,1H3/t10-,15-/m1/s1
InChIKeyYFXDOUYKSZJGTB-MEBBXXQBSA-N
MW306.39 g/mol
LogP1.98
Rot. Bonds5

About [(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol

[(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol (PubChem CID 136586100) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is [(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol
PubChem CID136586100
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name[(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol
SMILESCOc1cc(CN[C@H]2c3ccccc3OC[C@H]2CO)sn1
InChIInChI=1S/C15H18N2O3S/c1-19-14-6-11(21-17-14)7-16-15-10(8-18)9-20-13-5-3-2-4-12(13)15/h2-6,10,15-16,18H,7-9H2,1H3/t10-,15-/m1/s1
InChIKeyYFXDOUYKSZJGTB-MEBBXXQBSA-N
XLogP1.98
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol (CID 136586100) is [(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol is COc1cc(CN[C@H]2c3ccccc3OC[C@H]2CO)sn1.
What is the InChIKey of [(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol?
The InChIKey is YFXDOUYKSZJGTB-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-19-14-6-11(21-17-14)7-16-15-10(8-18)9-20-13-5-3-2-4-12(13)15/h2-6,10,15-16,18H,7-9H2,1H3/t10-,15-/m1/s1.
What are the key properties of [(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol?
[(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol has a molecular weight of 306.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[(3-methoxy-1,2-thiazol-5-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanol is sourced from PubChem (CID 136586100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).