2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine

C14H18N4OS — CID 168625847

IUPAC2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCCC(C)Oc1ccc(C=NNc2nc(N)cs2)cc1
InChIInChI=1S/C14H18N4OS/c1-3-10(2)19-12-6-4-11(5-7-12)8-16-18-14-17-13(15)9-20-14/h4-10H,3,15H2,1-2H3,(H,17,18)
InChIKeyYTDWAONUWZASGS-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.35
Rot. Bonds6

About 2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168625847) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168625847
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCCC(C)Oc1ccc(C=NNc2nc(N)cs2)cc1
InChIInChI=1S/C14H18N4OS/c1-3-10(2)19-12-6-4-11(5-7-12)8-16-18-14-17-13(15)9-20-14/h4-10H,3,15H2,1-2H3,(H,17,18)
InChIKeyYTDWAONUWZASGS-UHFFFAOYSA-N
XLogP3.35
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.35
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-butan-2-yloxyphenyl)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-[(3-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627054
2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625936
2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625760
methyl 2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-2-phenylacetate
CID 168628086
4-phenyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 27273511
6-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]hexanenitrile
CID 168627446
2-N-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626633
2-N-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627027
2-N-[[4-(5-methylfuran-2-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628070
2-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626098
2-N-[(3-butoxy-4-fluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626008
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168625512

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine (CID 168625847) is 2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine is CCC(C)Oc1ccc(C=NNc2nc(N)cs2)cc1.
What is the InChIKey of 2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is YTDWAONUWZASGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-10(2)19-12-6-4-11(5-7-12)8-16-18-14-17-13(15)9-20-14/h4-10H,3,15H2,1-2H3,(H,17,18).
What are the key properties of 2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 290.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168625847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).