1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine

C14H26N2S — CID 61333638

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine
SMILESCCCCCC(NC(C)C)c1nc(C)c(C)s1
InChIInChI=1S/C14H26N2S/c1-6-7-8-9-13(15-10(2)3)14-16-11(4)12(5)17-14/h10,13,15H,6-9H2,1-5H3
InChIKeyMDRSYLLZNGMTAM-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.38
Rot. Bonds7

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine (PubChem CID 61333638) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine
PubChem CID61333638
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine
SMILESCCCCCC(NC(C)C)c1nc(C)c(C)s1
InChIInChI=1S/C14H26N2S/c1-6-7-8-9-13(15-10(2)3)14-16-11(4)12(5)17-14/h10,13,15H,6-9H2,1-5H3
InChIKeyMDRSYLLZNGMTAM-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-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 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine (CID 61333638) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine is CCCCCC(NC(C)C)c1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine?
The InChIKey is MDRSYLLZNGMTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-6-7-8-9-13(15-10(2)3)14-16-11(4)12(5)17-14/h10,13,15H,6-9H2,1-5H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine has a molecular weight of 254.44 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 61333638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).