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

C13H19N3OS — CID 55113813

IUPAC5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)Cc2ccoc2C)sc1C(C)N
InChIInChI=1S/C13H19N3OS/c1-8(14)12-9(2)15-13(18-12)16(4)7-11-5-6-17-10(11)3/h5-6,8H,7,14H2,1-4H3
InChIKeyACXVSSRQZYKOFI-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.01
Rot. Bonds4

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

5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 55113813) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID55113813
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)Cc2ccoc2C)sc1C(C)N
InChIInChI=1S/C13H19N3OS/c1-8(14)12-9(2)15-13(18-12)16(4)7-11-5-6-17-10(11)3/h5-6,8H,7,14H2,1-4H3
InChIKeyACXVSSRQZYKOFI-UHFFFAOYSA-N
XLogP3.01
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine (CID 55113813) is 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine is Cc1nc(N(C)Cc2ccoc2C)sc1C(C)N.
What is the InChIKey of 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ACXVSSRQZYKOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-8(14)12-9(2)15-13(18-12)16(4)7-11-5-6-17-10(11)3/h5-6,8H,7,14H2,1-4H3.
What are the key properties of 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine?
5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 265.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 55113813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).