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

C16H20N2OS — CID 114712835

IUPAC6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(c2cscn2)Oc2ccc(C)cc21
InChIInChI=1S/C16H20N2OS/c1-3-6-17-13-8-16(14-9-20-10-18-14)19-15-5-4-11(2)7-12(13)15/h4-5,7,9-10,13,16-17H,3,6,8H2,1-2H3
InChIKeyGWGOLIAUWJHCTA-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.02
Rot. Bonds4

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

6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712835) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712835
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(c2cscn2)Oc2ccc(C)cc21
InChIInChI=1S/C16H20N2OS/c1-3-6-17-13-8-16(14-9-20-10-18-14)19-15-5-4-11(2)7-12(13)15/h4-5,7,9-10,13,16-17H,3,6,8H2,1-2H3
InChIKeyGWGOLIAUWJHCTA-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511864
6-methyl-2-(5-methyloxolan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114712809
N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712742
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 107126247
N-ethyl-2-(2-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712724
6-fluoro-2-phenyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710740
6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 114712825
3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63821562
6-chloro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711481
6-fluoro-2-(1-methylpyrazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710798
6-fluoro-2-(3-methylimidazol-4-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114710770
7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711885

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114712835) is 6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is CCCNC1CC(c2cscn2)Oc2ccc(C)cc21.
What is the InChIKey of 6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is GWGOLIAUWJHCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-6-17-13-8-16(14-9-20-10-18-14)19-15-5-4-11(2)7-12(13)15/h4-5,7,9-10,13,16-17H,3,6,8H2,1-2H3.
What are the key properties of 6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 288.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).