N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine

C16H18N2OS — CID 43706292

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NC1CCSc2ccccc21
InChIInChI=1S/C16H18N2OS/c1-2-19-16-14(7-5-10-17-16)18-13-9-11-20-15-8-4-3-6-12(13)15/h3-8,10,13,18H,2,9,11H2,1H3
InChIKeyODRVKNRIOIZHIL-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.13
Rot. Bonds4

About N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine (PubChem CID 43706292) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine
PubChem CID43706292
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NC1CCSc2ccccc21
InChIInChI=1S/C16H18N2OS/c1-2-19-16-14(7-5-10-17-16)18-13-9-11-20-15-8-4-3-6-12(13)15/h3-8,10,13,18H,2,9,11H2,1H3
InChIKeyODRVKNRIOIZHIL-UHFFFAOYSA-N
XLogP4.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine
CID 43192381
1-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 95131254
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methoxy-3-pyridinyl)urea
CID 51116670
2-ethoxy-N-(thian-4-yl)pyridin-3-amine
CID 43706527
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine
CID 81252058
N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43739214
N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 107630252
N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 61075905
N-(4-bromo-2-ethylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 81292486
N-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62815698
3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine
CID 79462625
N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine
CID 64734172

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine (CID 43706292) is N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine is CCOc1ncccc1NC1CCSc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine?
The InChIKey is ODRVKNRIOIZHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-2-19-16-14(7-5-10-17-16)18-13-9-11-20-15-8-4-3-6-12(13)15/h3-8,10,13,18H,2,9,11H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine?
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine has a molecular weight of 286.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine is sourced from PubChem (CID 43706292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).