3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine

C13H14N2OS — CID 114745898

IUPAC3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine
SMILESNC(c1cncs1)c1cccc2c1OCCC2
InChIInChI=1S/C13H14N2OS/c14-12(11-7-15-8-17-11)10-5-1-3-9-4-2-6-16-13(9)10/h1,3,5,7-8,12H,2,4,6,14H2
InChIKeyIUKGYRWZKYBCGJ-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.52
Rot. Bonds2

About 3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine

3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine (PubChem CID 114745898) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine
PubChem CID114745898
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine
SMILESNC(c1cncs1)c1cccc2c1OCCC2
InChIInChI=1S/C13H14N2OS/c14-12(11-7-15-8-17-11)10-5-1-3-9-4-2-6-16-13(9)10/h1,3,5,7-8,12H,2,4,6,14H2
InChIKeyIUKGYRWZKYBCGJ-UHFFFAOYSA-N
XLogP2.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-chromen-8-yl(pyridin-3-yl)methanamine
CID 114744886
3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methanamine
CID 114744922
3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine
CID 114745984
(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187279
3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine
CID 114745377
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
N-[2,3-dihydro-1-benzofuran-7-yl(1,3-thiazol-5-yl)methyl]ethanamine
CID 114745900
(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114744841
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107969236
(3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745822
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745341
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine (CID 114745898) is 3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine is NC(c1cncs1)c1cccc2c1OCCC2.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine?
The InChIKey is IUKGYRWZKYBCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c14-12(11-7-15-8-17-11)10-5-1-3-9-4-2-6-16-13(9)10/h1,3,5,7-8,12H,2,4,6,14H2.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine?
3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine has a molecular weight of 246.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 114745898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).