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

C15H20N4OS — CID 168625936

IUPAC2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCC(C)CCOc1ccc(C=NNc2nc(N)cs2)cc1
InChIInChI=1S/C15H20N4OS/c1-11(2)7-8-20-13-5-3-12(4-6-13)9-17-19-15-18-14(16)10-21-15/h3-6,9-11H,7-8,16H2,1-2H3,(H,18,19)
InChIKeyIMDIPGHZYDMLEV-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.60
Rot. Bonds7

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

2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168625936) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168625936
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCC(C)CCOc1ccc(C=NNc2nc(N)cs2)cc1
InChIInChI=1S/C15H20N4OS/c1-11(2)7-8-20-13-5-3-12(4-6-13)9-17-19-15-18-14(16)10-21-15/h3-6,9-11H,7-8,16H2,1-2H3,(H,18,19)
InChIKeyIMDIPGHZYDMLEV-UHFFFAOYSA-N
XLogP3.60
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.60
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'}

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Related Compounds

2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625760
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577275
6-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]hexanenitrile
CID 168627446
2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625847
2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627162
2-[3-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]propyl]isoindole-1,3-dione
CID 168628046
2-N-[[4-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626092
2-N-[(3-butoxy-4-fluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626008
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 5348565
6-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]hexanenitrile
CID 168618709
2-N-[(3-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627054
2-N-[(3-chloro-4-propoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626909

Frequently Asked Questions

What is the IUPAC name of 2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine (CID 168625936) is 2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine is CC(C)CCOc1ccc(C=NNc2nc(N)cs2)cc1.
What is the InChIKey of 2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is IMDIPGHZYDMLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11(2)7-8-20-13-5-3-12(4-6-13)9-17-19-15-18-14(16)10-21-15/h3-6,9-11H,7-8,16H2,1-2H3,(H,18,19).
What are the key properties of 2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 304.42 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168625936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).