5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide

C12H11N5OS — CID 115597844

IUPAC5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc3cc(N)ccc3[nH]2)s1
InChIInChI=1S/C12H11N5OS/c1-6-16-17-12(19-6)15-11(18)10-5-7-4-8(13)2-3-9(7)14-10/h2-5,14H,13H2,1H3,(H,15,17,18)
InChIKeyFWVMMYBAWLDZPO-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.16
Rot. Bonds2

About 5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide

5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide (PubChem CID 115597844) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
PubChem CID115597844
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc3cc(N)ccc3[nH]2)s1
InChIInChI=1S/C12H11N5OS/c1-6-16-17-12(19-6)15-11(18)10-5-7-4-8(13)2-3-9(7)14-10/h2-5,14H,13H2,1H3,(H,15,17,18)
InChIKeyFWVMMYBAWLDZPO-UHFFFAOYSA-N
XLogP2.16
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide (CID 115597844) is 5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide is Cc1nnc(NC(=O)c2cc3cc(N)ccc3[nH]2)s1.
What is the InChIKey of 5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide?
The InChIKey is FWVMMYBAWLDZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-6-16-17-12(19-6)15-11(18)10-5-7-4-8(13)2-3-9(7)14-10/h2-5,14H,13H2,1H3,(H,15,17,18).
What are the key properties of 5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide?
5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 115597844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).