2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine

C15H18N2OS — CID 96680251

IUPAC2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2ccc3c(c2)CCCO3)s1
InChIInChI=1S/C15H18N2OS/c1-16-7-6-15-17-10-14(19-15)12-4-5-13-11(9-12)3-2-8-18-13/h4-5,9-10,16H,2-3,6-8H2,1H3
InChIKeyLIZHYBXCEVXLKN-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.90
Rot. Bonds4

About 2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine

2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 96680251) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID96680251
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2ccc3c(c2)CCCO3)s1
InChIInChI=1S/C15H18N2OS/c1-16-7-6-15-17-10-14(19-15)12-4-5-13-11(9-12)3-2-8-18-13/h4-5,9-10,16H,2-3,6-8H2,1H3
InChIKeyLIZHYBXCEVXLKN-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 61025357
2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]ethanamine
CID 82302700
1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
CID 61032684
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
CID 62492220
1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
CID 116948587
[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine
CID 82649644
N-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 61281176
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876928
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880179
1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
CID 61032925

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine (CID 96680251) is 2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine is CNCCc1ncc(-c2ccc3c(c2)CCCO3)s1.
What is the InChIKey of 2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is LIZHYBXCEVXLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-16-7-6-15-17-10-14(19-15)12-4-5-13-11(9-12)3-2-8-18-13/h4-5,9-10,16H,2-3,6-8H2,1H3.
What are the key properties of 2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine?
2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 274.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 96680251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).