N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

C13H19N3OS2 — CID 82439892

IUPACN-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCCCCNc1nc(-c2sc(C)nc2COC)cs1
InChIInChI=1S/C13H19N3OS2/c1-4-5-6-14-13-16-11(8-18-13)12-10(7-17-3)15-9(2)19-12/h8H,4-7H2,1-3H3,(H,14,16)
InChIKeyZNRPPZXADWKRDU-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.93
Rot. Bonds7

About N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 82439892) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID82439892
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC NameN-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCCCCNc1nc(-c2sc(C)nc2COC)cs1
InChIInChI=1S/C13H19N3OS2/c1-4-5-6-14-13-16-11(8-18-13)12-10(7-17-3)15-9(2)19-12/h8H,4-7H2,1-3H3,(H,14,16)
InChIKeyZNRPPZXADWKRDU-UHFFFAOYSA-N
XLogP3.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-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

Related Compounds

4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82431258
4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82439938
N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82438277
4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine
CID 82515705
N-butyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82428139
N-ethyl-4-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433569
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2902374
N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 82427850
5-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 82427826
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82429537
[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]hydrazine
CID 7174025
N-ethyl-4-(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82431379

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (CID 82439892) is N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is CCCCNc1nc(-c2sc(C)nc2COC)cs1.
What is the InChIKey of N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is ZNRPPZXADWKRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS2/c1-4-5-6-14-13-16-11(8-18-13)12-10(7-17-3)15-9(2)19-12/h8H,4-7H2,1-3H3,(H,14,16).
What are the key properties of N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 297.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82439892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).