1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine

C17H24N4S — CID 110449667

IUPAC1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine
SMILESCc1csc(CCN2Cc3c(cccc3N(C)C)C2CN)n1
InChIInChI=1S/C17H24N4S/c1-12-11-22-17(19-12)7-8-21-10-14-13(16(21)9-18)5-4-6-15(14)20(2)3/h4-6,11,16H,7-10,18H2,1-3H3
InChIKeyWDQCSZDVSKNJRD-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.58
Rot. Bonds5

About 1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine

1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine (PubChem CID 110449667) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine
PubChem CID110449667
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine
SMILESCc1csc(CCN2Cc3c(cccc3N(C)C)C2CN)n1
InChIInChI=1S/C17H24N4S/c1-12-11-22-17(19-12)7-8-21-10-14-13(16(21)9-18)5-4-6-15(14)20(2)3/h4-6,11,16H,7-10,18H2,1-3H3
InChIKeyWDQCSZDVSKNJRD-UHFFFAOYSA-N
XLogP2.58
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine?
The IUPAC name of 1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine (CID 110449667) is 1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine is Cc1csc(CCN2Cc3c(cccc3N(C)C)C2CN)n1.
What is the InChIKey of 1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine?
The InChIKey is WDQCSZDVSKNJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-12-11-22-17(19-12)7-8-21-10-14-13(16(21)9-18)5-4-6-15(14)20(2)3/h4-6,11,16H,7-10,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine?
1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine has a molecular weight of 316.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 110449667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).