4-methyl-5-[(Z)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-amine

C16H17N7S2 — CID 171347891

IUPAC4-methyl-5-[(Z)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nc(C)c(/N=N/c2ccccc2)s1)c1sc(N)nc1C
InChIInChI=1S/C16H17N7S2/c1-9-13(24-15(17)18-9)10(2)20-23-16-19-11(3)14(25-16)22-21-12-7-5-4-6-8-12/h4-8H,1-3H3,(H2,17,18)(H,19,23)/b20-10-,22-21+
InChIKeyGPSMWQRCKLCPFA-HWLUNMSQSA-N
MW371.50 g/mol
LogP5.05
Rot. Bonds5

About 4-methyl-5-[(Z)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-amine

4-methyl-5-[(Z)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-amine (PubChem CID 171347891) has the molecular formula C16H17N7S2 and a molecular weight of 371.50 g/mol. Its IUPAC name is 4-methyl-5-[(Z)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[(Z)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-amine
PubChem CID171347891
Molecular FormulaC16H17N7S2
Molecular Weight371.50 g/mol
Exact Mass371.10
IUPAC Name4-methyl-5-[(Z)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nc(C)c(/N=N/c2ccccc2)s1)c1sc(N)nc1C
InChIInChI=1S/C16H17N7S2/c1-9-13(24-15(17)18-9)10(2)20-23-16-19-11(3)14(25-16)22-21-12-7-5-4-6-8-12/h4-8H,1-3H3,(H2,17,18)(H,19,23)/b20-10-,22-21+
InChIKeyGPSMWQRCKLCPFA-HWLUNMSQSA-N
XLogP5.05
TPSA100.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.50
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(Z)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[(Z)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-amine (CID 171347891) is 4-methyl-5-[(Z)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[(Z)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[(Z)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-amine is C/C(=N/Nc1nc(C)c(/N=N/c2ccccc2)s1)c1sc(N)nc1C.
What is the InChIKey of 4-methyl-5-[(Z)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-amine?
The InChIKey is GPSMWQRCKLCPFA-HWLUNMSQSA-N. The full InChI is InChI=1S/C16H17N7S2/c1-9-13(24-15(17)18-9)10(2)20-23-16-19-11(3)14(25-16)22-21-12-7-5-4-6-8-12/h4-8H,1-3H3,(H2,17,18)(H,19,23)/b20-10-,22-21+.
What are the key properties of 4-methyl-5-[(Z)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-amine?
4-methyl-5-[(Z)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-amine has a molecular weight of 371.50 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(Z)-C-methyl-N-[(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 171347891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).