2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine

C20H23N5S — CID 168625905

IUPAC2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCCCCN(c1ccccc1)c1ccc(C=NNc2nc(N)cs2)cc1
InChIInChI=1S/C20H23N5S/c1-2-3-13-25(17-7-5-4-6-8-17)18-11-9-16(10-12-18)14-22-24-20-23-19(21)15-26-20/h4-12,14-15H,2-3,13,21H2,1H3,(H,23,24)
InChIKeyCWMDNMRRNSQLKS-UHFFFAOYSA-N
MW365.51 g/mol
LogP5.11
Rot. Bonds8

About 2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168625905) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is 2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168625905
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCCCCN(c1ccccc1)c1ccc(C=NNc2nc(N)cs2)cc1
InChIInChI=1S/C20H23N5S/c1-2-3-13-25(17-7-5-4-6-8-17)18-11-9-16(10-12-18)14-22-24-20-23-19(21)15-26-20/h4-12,14-15H,2-3,13,21H2,1H3,(H,23,24)
InChIKeyCWMDNMRRNSQLKS-UHFFFAOYSA-N
XLogP5.11
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.51
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

2-N-[[4-[[butyl(ethyl)amino]methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626169
2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625760
2-N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626182
4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616897
2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625942
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168625512
2-N-[(3-butoxy-4-fluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626008
2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625847
2-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626098
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide
CID 168626559
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625936

Frequently Asked Questions

What is the IUPAC name of 2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine (CID 168625905) is 2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine is CCCCN(c1ccccc1)c1ccc(C=NNc2nc(N)cs2)cc1.
What is the InChIKey of 2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is CWMDNMRRNSQLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-2-3-13-25(17-7-5-4-6-8-17)18-11-9-16(10-12-18)14-22-24-20-23-19(21)15-26-20/h4-12,14-15H,2-3,13,21H2,1H3,(H,23,24).
What are the key properties of 2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 365.51 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[4-(N-butylanilino)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168625905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).