4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine

C12H17N3S — CID 659068

IUPAC4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine
SMILESCC1CN=C(Nc2ccc(N(C)C)cc2)S1
InChIInChI=1S/C12H17N3S/c1-9-8-13-12(16-9)14-10-4-6-11(7-5-10)15(2)3/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyGRFZECBQOVYTMH-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.66
Rot. Bonds2

About 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine (PubChem CID 659068) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine
PubChem CID659068
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine
SMILESCC1CN=C(Nc2ccc(N(C)C)cc2)S1
InChIInChI=1S/C12H17N3S/c1-9-8-13-12(16-9)14-10-4-6-11(7-5-10)15(2)3/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyGRFZECBQOVYTMH-UHFFFAOYSA-N
XLogP2.66
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine 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 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine (CID 659068) is 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine is CC1CN=C(Nc2ccc(N(C)C)cc2)S1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine?
The InChIKey is GRFZECBQOVYTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9-8-13-12(16-9)14-10-4-6-11(7-5-10)15(2)3/h4-7,9H,8H2,1-3H3,(H,13,14).
What are the key properties of 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine has a molecular weight of 235.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 659068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).