2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine

C10H10N4S — CID 155482379

IUPAC2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine
SMILES[H]/N=C(\c1cncs1)c1cc(N)ccc1N
InChIInChI=1S/C10H10N4S/c11-6-1-2-8(12)7(3-6)10(13)9-4-14-5-15-9/h1-5,13H,11-12H2/b13-10-
InChIKeyOBRZFHMPAKRFOO-RAXLEYEMSA-N
MW218.29 g/mol
LogP1.72
Rot. Bonds2

About 2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine

2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine (PubChem CID 155482379) has the molecular formula C10H10N4S and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine
PubChem CID155482379
Molecular FormulaC10H10N4S
Molecular Weight218.29 g/mol
Exact Mass218.06
IUPAC Name2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine
SMILES[H]/N=C(\c1cncs1)c1cc(N)ccc1N
InChIInChI=1S/C10H10N4S/c11-6-1-2-8(12)7(3-6)10(13)9-4-14-5-15-9/h1-5,13H,11-12H2/b13-10-
InChIKeyOBRZFHMPAKRFOO-RAXLEYEMSA-N
XLogP1.72
TPSA88.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(benzenecarboximidoyl)benzene-1,4-diamine
CID 142270797
(8R)-8-[4-amino-3-(1,3-thiazole-5-carboximidoyl)anilino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 156851112
2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine
CID 155482417
2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine
CID 155481805
2-prop-2-enimidoylbenzene-1,4-diamine
CID 176988538
2-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidine-4-carboximidoyl]benzene-1,4-diamine
CID 130372384
2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine
CID 156850491
[4-amino-2-(pyridine-4-carboximidoyl)phenyl]azanide;iridium
CID 166551378
2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridine-4-carboximidoyl]benzene-1,4-diamine
CID 159549771
4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline
CID 143325557
2-(1,3-oxazole-5-carboximidoyl)benzene-1,4-diamine;2,2,4-trifluoro-1,3-dihydroindene-5-carbonitrile
CID 156850621
4-N-[(Z)-2-aminoethenyl]-2-(pyridine-4-carboximidoyl)benzene-1,4-diamine
CID 139472490

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine?
The IUPAC name of 2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine (CID 155482379) is 2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine?
The canonical SMILES for 2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine is [H]/N=C(\c1cncs1)c1cc(N)ccc1N.
What is the InChIKey of 2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine?
The InChIKey is OBRZFHMPAKRFOO-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H10N4S/c11-6-1-2-8(12)7(3-6)10(13)9-4-14-5-15-9/h1-5,13H,11-12H2/b13-10-.
What are the key properties of 2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine?
2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine has a molecular weight of 218.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazole-5-carboximidoyl)benzene-1,4-diamine is sourced from PubChem (CID 155482379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).