5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine

C15H21N3S — CID 62750191

IUPAC5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccccc1CN(C)c1nc(C)c(C(C)N)s1
InChIInChI=1S/C15H21N3S/c1-10-7-5-6-8-13(10)9-18(4)15-17-12(3)14(19-15)11(2)16/h5-8,11H,9,16H2,1-4H3
InChIKeyPEFHXMZZMHOMOP-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.42
Rot. Bonds4

About 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine

5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 62750191) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID62750191
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccccc1CN(C)c1nc(C)c(C(C)N)s1
InChIInChI=1S/C15H21N3S/c1-10-7-5-6-8-13(10)9-18(4)15-17-12(3)14(19-15)11(2)16/h5-8,11H,9,16H2,1-4H3
InChIKeyPEFHXMZZMHOMOP-UHFFFAOYSA-N
XLogP3.42
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine (CID 62750191) is 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine is Cc1ccccc1CN(C)c1nc(C)c(C(C)N)s1.
What is the InChIKey of 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is PEFHXMZZMHOMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-10-7-5-6-8-13(10)9-18(4)15-17-12(3)14(19-15)11(2)16/h5-8,11H,9,16H2,1-4H3.
What are the key properties of 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine?
5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62750191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).