N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine

C14H16N2OS — CID 107149232

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESCc1csc(CNC2COCc3ccccc32)n1
InChIInChI=1S/C14H16N2OS/c1-10-9-18-14(16-10)6-15-13-8-17-7-11-4-2-3-5-12(11)13/h2-5,9,13,15H,6-8H2,1H3
InChIKeyQOWWJALPBLPXDP-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.81
Rot. Bonds3

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107149232) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107149232
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESCc1csc(CNC2COCc3ccccc32)n1
InChIInChI=1S/C14H16N2OS/c1-10-9-18-14(16-10)6-15-13-8-17-7-11-4-2-3-5-12(11)13/h2-5,9,13,15H,6-8H2,1H3
InChIKeyQOWWJALPBLPXDP-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149345
N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 106393670
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 54913172
N-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148772
N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148812
N-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149444
(6S)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81297813
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94017963
3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 61042870
N-(4-tert-butylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148755
4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine
CID 130727351
1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol
CID 106284691

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine (CID 107149232) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine is Cc1csc(CNC2COCc3ccccc32)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is QOWWJALPBLPXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-9-18-14(16-10)6-15-13-8-17-7-11-4-2-3-5-12(11)13/h2-5,9,13,15H,6-8H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 260.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107149232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).