4-amino-2-anilino-N'-cyano-1,3-thiazole-5-carboximidamide

C11H10N6S — CID 4914117

IUPAC4-amino-2-anilino-N'-cyano-1,3-thiazole-5-carboximidamide
SMILESN#C/N=C(\N)c1sc(Nc2ccccc2)nc1N
InChIInChI=1S/C11H10N6S/c12-6-15-9(13)8-10(14)17-11(18-8)16-7-4-2-1-3-5-7/h1-5H,14H2,(H2,13,15)(H,16,17)
InChIKeyOCAIUSXYDOHYOK-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.66
Rot. Bonds3

About 4-amino-2-anilino-N'-cyano-1,3-thiazole-5-carboximidamide

4-amino-2-anilino-N'-cyano-1,3-thiazole-5-carboximidamide (PubChem CID 4914117) has the molecular formula C11H10N6S and a molecular weight of 258.31 g/mol. Its IUPAC name is 4-amino-2-anilino-N'-cyano-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-amino-2-anilino-N'-cyano-1,3-thiazole-5-carboximidamide
PubChem CID4914117
Molecular FormulaC11H10N6S
Molecular Weight258.31 g/mol
Exact Mass258.07
IUPAC Name4-amino-2-anilino-N'-cyano-1,3-thiazole-5-carboximidamide
SMILESN#C/N=C(\N)c1sc(Nc2ccccc2)nc1N
InChIInChI=1S/C11H10N6S/c12-6-15-9(13)8-10(14)17-11(18-8)16-7-4-2-1-3-5-7/h1-5H,14H2,(H2,13,15)(H,16,17)
InChIKeyOCAIUSXYDOHYOK-UHFFFAOYSA-N
XLogP1.66
TPSA113.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-phenyl-1,3-thiazol-2-amine
CID 676722
4-tert-butyl-N-phenylthiazol-2-amine
CID 9899450
4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine
CID 971435
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-phenyl-1,3-thiazol-2-amine
CID 2898103
4-Amino-2-(Phenylamino)-1,3-Thiazole-5-Carboxamide
CID 13349420
4'-Methyl-N2-phenyl-[4,5'-bithiazole]-2,2'-diamine
CID 2866410
4-Bromo-N-(4-fluorophenyl)thiazol-2-amine
CID 25093330
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-phenylthiourea
CID 874878
2-anilino-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
CID 3701969
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-phenylurea
CID 164610421
2-N-phenyl-1,3-thiazole-2,4-diamine
CID 49830524
N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 685051

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-anilino-N'-cyano-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-amino-2-anilino-N'-cyano-1,3-thiazole-5-carboximidamide (CID 4914117) is 4-amino-2-anilino-N'-cyano-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-amino-2-anilino-N'-cyano-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-amino-2-anilino-N'-cyano-1,3-thiazole-5-carboximidamide is N#C/N=C(\N)c1sc(Nc2ccccc2)nc1N.
What is the InChIKey of 4-amino-2-anilino-N'-cyano-1,3-thiazole-5-carboximidamide?
The InChIKey is OCAIUSXYDOHYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6S/c12-6-15-9(13)8-10(14)17-11(18-8)16-7-4-2-1-3-5-7/h1-5H,14H2,(H2,13,15)(H,16,17).
What are the key properties of 4-amino-2-anilino-N'-cyano-1,3-thiazole-5-carboximidamide?
4-amino-2-anilino-N'-cyano-1,3-thiazole-5-carboximidamide has a molecular weight of 258.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-anilino-N'-cyano-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 4914117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).