5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine

C13H17N3S — CID 55117423

IUPAC5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccccc1N(C)c1nc(C)c(CN)s1
InChIInChI=1S/C13H17N3S/c1-9-6-4-5-7-11(9)16(3)13-15-10(2)12(8-14)17-13/h4-7H,8,14H2,1-3H3
InChIKeyUSAZZOXPMOSHNH-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.99
Rot. Bonds3

About 5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine

5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 55117423) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
PubChem CID55117423
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccccc1N(C)c1nc(C)c(CN)s1
InChIInChI=1S/C13H17N3S/c1-9-6-4-5-7-11(9)16(3)13-15-10(2)12(8-14)17-13/h4-7H,8,14H2,1-3H3
InChIKeyUSAZZOXPMOSHNH-UHFFFAOYSA-N
XLogP2.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine (CID 55117423) is 5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine is Cc1ccccc1N(C)c1nc(C)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is USAZZOXPMOSHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-6-4-5-7-11(9)16(3)13-15-10(2)12(8-14)17-13/h4-7H,8,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,4-dimethyl-N-(2-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55117423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).