N-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine

C14H16N2OS — CID 137460565

IUPACN-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESCNC[C@@H]1OCCc2c(-c3cncs3)cccc21
InChIInChI=1S/C14H16N2OS/c1-15-7-13-11-3-2-4-12(10(11)5-6-17-13)14-8-16-9-18-14/h2-4,8-9,13,15H,5-7H2,1H3/t13-/m0/s1
InChIKeyCXHMNKQVTDPGRY-ZDUSSCGKSA-N
MW260.36 g/mol
LogP2.64
Rot. Bonds3

About N-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine

N-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine (PubChem CID 137460565) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine
PubChem CID137460565
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESCNC[C@@H]1OCCc2c(-c3cncs3)cccc21
InChIInChI=1S/C14H16N2OS/c1-15-7-13-11-3-2-4-12(10(11)5-6-17-13)14-8-16-9-18-14/h2-4,8-9,13,15H,5-7H2,1H3/t13-/m0/s1
InChIKeyCXHMNKQVTDPGRY-ZDUSSCGKSA-N
XLogP2.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine with MolForge

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Related Compounds

N-methyl-1-[6-(1,3-thiazol-5-yl)-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]methanamine
CID 137460394
N-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460178
N-methyl-1-[(1R)-5-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460474
N-methyl-1-(5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl)methanamine;hydrochloride
CID 137460383
N-methyl-1-[5-(1,2-oxazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460481
N-methyl-1-[(1R)-5-(1,3-oxazol-2-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460821
N-methyl-1-[(1S)-5-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460397
N-methyl-1-[(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460678
1-[(1S)-5-(2,6-dimethyl-4-pyridinyl)-3,4-dihydro-1H-isochromen-1-yl]-N-methylmethanamine;hydrochloride
CID 156579260
N-methyl-1-[(1S)-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 171496662
bis(N-methyl-1-(5-phenyl-3,4-dihydro-1H-isochromen-1-yl)methanamine);(5-phenyl-3,4-dihydro-1H-isochromen-1-yl)methanamine;(5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 167625946
N-methyl-1-[(1S)-6-(1,3-oxazol-5-yl)-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]methanamine
CID 137460592

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The IUPAC name of N-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine (CID 137460565) is N-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine is CNC[C@@H]1OCCc2c(-c3cncs3)cccc21.
What is the InChIKey of N-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The InChIKey is CXHMNKQVTDPGRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-15-7-13-11-3-2-4-12(10(11)5-6-17-13)14-8-16-9-18-14/h2-4,8-9,13,15H,5-7H2,1H3/t13-/m0/s1.
What are the key properties of N-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine?
N-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine has a molecular weight of 260.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine is sourced from PubChem (CID 137460565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).