1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine

C16H20N2OS — CID 104841063

IUPAC1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(C2CCOc3ccccc32)sc1CNC
InChIInChI=1S/C16H20N2OS/c1-3-13-15(10-17-2)20-16(18-13)12-8-9-19-14-7-5-4-6-11(12)14/h4-7,12,17H,3,8-10H2,1-2H3
InChIKeyOOOCUVLBNFXRPA-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.34
Rot. Bonds4

About 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 104841063) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID104841063
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(C2CCOc3ccccc32)sc1CNC
InChIInChI=1S/C16H20N2OS/c1-3-13-15(10-17-2)20-16(18-13)12-8-9-19-14-7-5-4-6-11(12)14/h4-7,12,17H,3,8-10H2,1-2H3
InChIKeyOOOCUVLBNFXRPA-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65406397
1-[2-(2,3-dihydro-1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364832
[2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361553
5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine
CID 66298443
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65403635
4-(chloromethyl)-2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole
CID 65406536
N-[[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841603
N-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 65404419
1-[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363489
5-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 139002468
1-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 65405099
3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65405691

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 104841063) is 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1nc(C2CCOc3ccccc32)sc1CNC.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is OOOCUVLBNFXRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-13-15(10-17-2)20-16(18-13)12-8-9-19-14-7-5-4-6-11(12)14/h4-7,12,17H,3,8-10H2,1-2H3.
What are the key properties of 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 288.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 104841063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).