[2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

C16H20N2OS — CID 114361553

IUPAC[2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nc(C2CCOc3ccccc32)sc1CN
InChIInChI=1S/C16H20N2OS/c1-10(2)15-14(9-17)20-16(18-15)12-7-8-19-13-6-4-3-5-11(12)13/h3-6,10,12H,7-9,17H2,1-2H3
InChIKeyHQBZBEGZFAWICD-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.64
Rot. Bonds3

About [2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

[2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 114361553) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID114361553
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name[2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nc(C2CCOc3ccccc32)sc1CN
InChIInChI=1S/C16H20N2OS/c1-10(2)15-14(9-17)20-16(18-15)12-7-8-19-13-6-4-3-5-11(12)13/h3-6,10,12H,7-9,17H2,1-2H3
InChIKeyHQBZBEGZFAWICD-UHFFFAOYSA-N
XLogP3.64
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364832
1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65406397
1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841063
4-(chloromethyl)-2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole
CID 65406536
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazol-3-yl]ethanamine
CID 65404677
N-[1-[2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 65404419
2-[[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81065351
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65405097
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65403635
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431983
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 63710487
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 114361553) is [2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is CC(C)c1nc(C2CCOc3ccccc32)sc1CN.
What is the InChIKey of [2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is HQBZBEGZFAWICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10(2)15-14(9-17)20-16(18-15)12-7-8-19-13-6-4-3-5-11(12)13/h3-6,10,12H,7-9,17H2,1-2H3.
What are the key properties of [2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
[2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 288.42 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).