6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide

C12H10N4OS — CID 61089769

IUPAC6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)Nc3nccs3)c[nH]c2c1
InChIInChI=1S/C12H10N4OS/c13-7-1-2-8-9(6-15-10(8)5-7)11(17)16-12-14-3-4-18-12/h1-6,15H,13H2,(H,14,16,17)
InChIKeyPLSSVCGXKFOSLX-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.46
Rot. Bonds2

About 6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide

6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide (PubChem CID 61089769) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide
PubChem CID61089769
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)Nc3nccs3)c[nH]c2c1
InChIInChI=1S/C12H10N4OS/c13-7-1-2-8-9(6-15-10(8)5-7)11(17)16-12-14-3-4-18-12/h1-6,15H,13H2,(H,14,16,17)
InChIKeyPLSSVCGXKFOSLX-UHFFFAOYSA-N
XLogP2.46
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide (CID 61089769) is 6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide is Nc1ccc2c(C(=O)Nc3nccs3)c[nH]c2c1.
What is the InChIKey of 6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide?
The InChIKey is PLSSVCGXKFOSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c13-7-1-2-8-9(6-15-10(8)5-7)11(17)16-12-14-3-4-18-12/h1-6,15H,13H2,(H,14,16,17).
What are the key properties of 6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide?
6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide has a molecular weight of 258.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1,3-thiazol-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 61089769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).