N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide

C12H9N5OS2 — CID 62056845

IUPACN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
SMILESNc1cccc(-c2csc(NC(=O)c3cnns3)n2)c1
InChIInChI=1S/C12H9N5OS2/c13-8-3-1-2-7(4-8)9-6-19-12(15-9)16-11(18)10-5-14-17-20-10/h1-6H,13H2,(H,15,16,18)
InChIKeyPVNDAOLIECEPLM-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.50
Rot. Bonds3

About N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide

N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide (PubChem CID 62056845) has the molecular formula C12H9N5OS2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
PubChem CID62056845
Molecular FormulaC12H9N5OS2
Molecular Weight303.37 g/mol
Exact Mass303.02
IUPAC NameN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
SMILESNc1cccc(-c2csc(NC(=O)c3cnns3)n2)c1
InChIInChI=1S/C12H9N5OS2/c13-8-3-1-2-7(4-8)9-6-19-12(15-9)16-11(18)10-5-14-17-20-10/h1-6H,13H2,(H,15,16,18)
InChIKeyPVNDAOLIECEPLM-UHFFFAOYSA-N
XLogP2.50
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47061239
[4-(3-aminophenyl)-1,3-thiazol-2-yl]urea
CID 43551246
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
CID 28861611
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 28861500
8-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]-8-oxooctanoic acid
CID 53323224
N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 65215041
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 40596964
1-[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 82028259
N-(4-acetyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 47350440
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide
CID 28861553

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide (CID 62056845) is N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide is Nc1cccc(-c2csc(NC(=O)c3cnns3)n2)c1.
What is the InChIKey of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
The InChIKey is PVNDAOLIECEPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5OS2/c13-8-3-1-2-7(4-8)9-6-19-12(15-9)16-11(18)10-5-14-17-20-10/h1-6H,13H2,(H,15,16,18).
What are the key properties of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide?
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 62056845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).