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

C17H22N2OS — CID 79826944

IUPACN-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)C1COc2ccccc2C1
InChIInChI=1S/C17H22N2OS/c1-2-7-18-15(11-17-19-8-9-21-17)14-10-13-5-3-4-6-16(13)20-12-14/h3-6,8-9,14-15,18H,2,7,10-12H2,1H3
InChIKeyVBWVGCDWGQGONR-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.31
Rot. Bonds6

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

N-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 79826944) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID79826944
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccs1)C1COc2ccccc2C1
InChIInChI=1S/C17H22N2OS/c1-2-7-18-15(11-17-19-8-9-21-17)14-10-13-5-3-4-6-16(13)20-12-14/h3-6,8-9,14-15,18H,2,7,10-12H2,1H3
InChIKeyVBWVGCDWGQGONR-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 9929728
Methyl-[3-(naphthalen-1-yloxy)-3-thiazol-2-yl-propyl]-amine
CID 15015316
1-(2-(2-Ethoxyphenyl)-1-(thiazol-2-yl)ethyl)piperazine
CID 44414731
1-(2-(2-Ethoxyphenyl)-1-(thiazol-5-yl)ethyl)piperazine
CID 44414749
N-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
CID 44322886
4-[3-[2-(1,3-Thiazol-2-yl)propan-2-ylamino]propoxy]benzonitrile
CID 71869012
(2S)-1-(methylamino)-3-[methyl-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]amino]propan-2-ol
CID 177382836
(2R)-1-(methylamino)-3-[methyl-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]amino]propan-2-ol
CID 177382837
(2R)-1-(methylamino)-3-[methyl-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]amino]propan-2-ol
CID 177382837
N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 177642685
N,N'-dimethyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 177654760
N,N'-dimethyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 177654760

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 79826944) is N-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccs1)C1COc2ccccc2C1.
What is the InChIKey of N-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is VBWVGCDWGQGONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-2-7-18-15(11-17-19-8-9-21-17)14-10-13-5-3-4-6-16(13)20-12-14/h3-6,8-9,14-15,18H,2,7,10-12H2,1H3.
What are the key properties of N-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 302.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79826944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).