1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

C14H17N3S — CID 103998299

IUPAC1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CNCc1ccc2c(c1)CNC2
InChIInChI=1S/C14H17N3S/c1-10-14(18-9-17-10)8-15-5-11-2-3-12-6-16-7-13(12)4-11/h2-4,9,15-16H,5-8H2,1H3
InChIKeyIRVIVFRBNUYHAD-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.34
Rot. Bonds4

About 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 103998299) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID103998299
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CNCc1ccc2c(c1)CNC2
InChIInChI=1S/C14H17N3S/c1-10-14(18-9-17-10)8-15-5-11-2-3-12-6-16-7-13(12)4-11/h2-4,9,15-16H,5-8H2,1H3
InChIKeyIRVIVFRBNUYHAD-UHFFFAOYSA-N
XLogP2.34
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 103998382
1-(3-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63280012
1-(6-methoxynaphthalen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63279880
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 63280078
1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 113328749
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55173216
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 105357862
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 63280056
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 105357866
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 105358167
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 115453865
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 63280280

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 103998299) is 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncsc1CNCc1ccc2c(c1)CNC2.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is IRVIVFRBNUYHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-14(18-9-17-10)8-15-5-11-2-3-12-6-16-7-13(12)4-11/h2-4,9,15-16H,5-8H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 259.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 103998299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).