2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine

C15H17ClN2OS — CID 107126247

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2ncc(Cl)s2)Oc2ccc(C)cc21
InChIInChI=1S/C15H17ClN2OS/c1-3-17-11-7-13(15-18-8-14(16)20-15)19-12-5-4-9(2)6-10(11)12/h4-6,8,11,13,17H,3,7H2,1-2H3
InChIKeyIOPIWBWJYLICBV-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.28
Rot. Bonds3

About 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine

2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 107126247) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID107126247
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2ncc(Cl)s2)Oc2ccc(C)cc21
InChIInChI=1S/C15H17ClN2OS/c1-3-17-11-7-13(15-18-8-14(16)20-15)19-12-5-4-9(2)6-10(11)12/h4-6,8,11,13,17H,3,7H2,1-2H3
InChIKeyIOPIWBWJYLICBV-UHFFFAOYSA-N
XLogP4.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine (CID 107126247) is 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2ncc(Cl)s2)Oc2ccc(C)cc21.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is IOPIWBWJYLICBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-3-17-11-7-13(15-18-8-14(16)20-15)19-12-5-4-9(2)6-10(11)12/h4-6,8,11,13,17H,3,7H2,1-2H3.
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 308.83 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 107126247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).