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

C20H30N4OS — CID 168625760

IUPAC2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCCCCCCCCCCOc1ccc(C=NNc2nc(N)cs2)cc1
InChIInChI=1S/C20H30N4OS/c1-2-3-4-5-6-7-8-9-14-25-18-12-10-17(11-13-18)15-22-24-20-23-19(21)16-26-20/h10-13,15-16H,2-9,14,21H2,1H3,(H,23,24)
InChIKeyINLCSLNDWBOAMD-UHFFFAOYSA-N
MW374.55 g/mol
LogP5.69
Rot. Bonds13

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

2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168625760) has the molecular formula C20H30N4OS and a molecular weight of 374.55 g/mol. Its IUPAC name is 2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168625760
Molecular FormulaC20H30N4OS
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Name2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCCCCCCCCCCOc1ccc(C=NNc2nc(N)cs2)cc1
InChIInChI=1S/C20H30N4OS/c1-2-3-4-5-6-7-8-9-14-25-18-12-10-17(11-13-18)15-22-24-20-23-19(21)16-26-20/h10-13,15-16H,2-9,14,21H2,1H3,(H,23,24)
InChIKeyINLCSLNDWBOAMD-UHFFFAOYSA-N
XLogP5.69
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.55
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]hexanenitrile
CID 168627446
2-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625936
N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42337314
ethyl 2-[2-[2-[(4-dodecoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624158
N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42336780
2-N-[(3-butoxy-4-fluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626008
2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625942
2-N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627162
N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533621
2-N-[(4-butan-2-yloxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625847
2-[3-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]propyl]isoindole-1,3-dione
CID 168628046
N-[(4-hexoxyphenyl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 26012780

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine (CID 168625760) is 2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine is CCCCCCCCCCOc1ccc(C=NNc2nc(N)cs2)cc1.
What is the InChIKey of 2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is INLCSLNDWBOAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4OS/c1-2-3-4-5-6-7-8-9-14-25-18-12-10-17(11-13-18)15-22-24-20-23-19(21)16-26-20/h10-13,15-16H,2-9,14,21H2,1H3,(H,23,24).
What are the key properties of 2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 374.55 g/mol, XLogP of 5.69, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-decoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168625760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).