5-[2-(diethylamino)-5-phenyldiazenyl-1,3-thiazol-4-yl]-2-N,2-N-diethyl-1,3-thiazole-2,4-diamine

C20H27N7S2 — CID 135423915

IUPAC5-[2-(diethylamino)-5-phenyldiazenyl-1,3-thiazol-4-yl]-2-N,2-N-diethyl-1,3-thiazole-2,4-diamine
SMILESCCN(CC)c1nc(-c2sc(N(CC)CC)nc2N)c(/N=N/c2ccccc2)s1
InChIInChI=1S/C20H27N7S2/c1-5-26(6-2)19-22-15(16-17(21)23-20(28-16)27(7-3)8-4)18(29-19)25-24-14-12-10-9-11-13-14/h9-13H,5-8,21H2,1-4H3/b25-24+
InChIKeyFATIJOKCABGZRH-OCOZRVBESA-N
MW429.62 g/mol
LogP5.96
Rot. Bonds9

About 5-[2-(diethylamino)-5-phenyldiazenyl-1,3-thiazol-4-yl]-2-N,2-N-diethyl-1,3-thiazole-2,4-diamine

5-[2-(diethylamino)-5-phenyldiazenyl-1,3-thiazol-4-yl]-2-N,2-N-diethyl-1,3-thiazole-2,4-diamine (PubChem CID 135423915) has the molecular formula C20H27N7S2 and a molecular weight of 429.62 g/mol. Its IUPAC name is 5-[2-(diethylamino)-5-phenyldiazenyl-1,3-thiazol-4-yl]-2-N,2-N-diethyl-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name5-[2-(diethylamino)-5-phenyldiazenyl-1,3-thiazol-4-yl]-2-N,2-N-diethyl-1,3-thiazole-2,4-diamine
PubChem CID135423915
Molecular FormulaC20H27N7S2
Molecular Weight429.62 g/mol
Exact Mass429.18
IUPAC Name5-[2-(diethylamino)-5-phenyldiazenyl-1,3-thiazol-4-yl]-2-N,2-N-diethyl-1,3-thiazole-2,4-diamine
SMILESCCN(CC)c1nc(-c2sc(N(CC)CC)nc2N)c(/N=N/c2ccccc2)s1
InChIInChI=1S/C20H27N7S2/c1-5-26(6-2)19-22-15(16-17(21)23-20(28-16)27(7-3)8-4)18(29-19)25-24-14-12-10-9-11-13-14/h9-13H,5-8,21H2,1-4H3/b25-24+
InChIKeyFATIJOKCABGZRH-OCOZRVBESA-N
XLogP5.96
TPSA83.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.62
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)-5-phenyldiazenyl-1,3-thiazol-4-yl]-2-N,2-N-diethyl-1,3-thiazole-2,4-diamine?
The IUPAC name of 5-[2-(diethylamino)-5-phenyldiazenyl-1,3-thiazol-4-yl]-2-N,2-N-diethyl-1,3-thiazole-2,4-diamine (CID 135423915) is 5-[2-(diethylamino)-5-phenyldiazenyl-1,3-thiazol-4-yl]-2-N,2-N-diethyl-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 5-[2-(diethylamino)-5-phenyldiazenyl-1,3-thiazol-4-yl]-2-N,2-N-diethyl-1,3-thiazole-2,4-diamine?
The canonical SMILES for 5-[2-(diethylamino)-5-phenyldiazenyl-1,3-thiazol-4-yl]-2-N,2-N-diethyl-1,3-thiazole-2,4-diamine is CCN(CC)c1nc(-c2sc(N(CC)CC)nc2N)c(/N=N/c2ccccc2)s1.
What is the InChIKey of 5-[2-(diethylamino)-5-phenyldiazenyl-1,3-thiazol-4-yl]-2-N,2-N-diethyl-1,3-thiazole-2,4-diamine?
The InChIKey is FATIJOKCABGZRH-OCOZRVBESA-N. The full InChI is InChI=1S/C20H27N7S2/c1-5-26(6-2)19-22-15(16-17(21)23-20(28-16)27(7-3)8-4)18(29-19)25-24-14-12-10-9-11-13-14/h9-13H,5-8,21H2,1-4H3/b25-24+.
What are the key properties of 5-[2-(diethylamino)-5-phenyldiazenyl-1,3-thiazol-4-yl]-2-N,2-N-diethyl-1,3-thiazole-2,4-diamine?
5-[2-(diethylamino)-5-phenyldiazenyl-1,3-thiazol-4-yl]-2-N,2-N-diethyl-1,3-thiazole-2,4-diamine has a molecular weight of 429.62 g/mol, XLogP of 5.96, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)-5-phenyldiazenyl-1,3-thiazol-4-yl]-2-N,2-N-diethyl-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 135423915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).