3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide

C10H8N6OS — CID 62807877

IUPAC3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)Nc2nc3ccccc3s2)n1
InChIInChI=1S/C10H8N6OS/c11-9-13-7(15-16-9)8(17)14-10-12-5-3-1-2-4-6(5)18-10/h1-4H,(H,12,14,17)(H3,11,13,15,16)
InChIKeyWTZGUOMBSVVZJX-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.25
Rot. Bonds2

About 3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62807877) has the molecular formula C10H8N6OS and a molecular weight of 260.28 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62807877
Molecular FormulaC10H8N6OS
Molecular Weight260.28 g/mol
Exact Mass260.05
IUPAC Name3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)Nc2nc3ccccc3s2)n1
InChIInChI=1S/C10H8N6OS/c11-9-13-7(15-16-9)8(17)14-10-12-5-3-1-2-4-6(5)18-10/h1-4H,(H,12,14,17)(H3,11,13,15,16)
InChIKeyWTZGUOMBSVVZJX-UHFFFAOYSA-N
XLogP1.25
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 45482651
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CID 828314
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
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N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 848501
4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide
CID 63187259
N-(1,3-benzothiazol-2-yl)-3-ethylthiophene-2-carboxamide
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2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
CID 29284368
2-amino-N-(1,3-benzothiazol-2-yl)-4-bromobenzamide
CID 79713852
4-amino-N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355063

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide (CID 62807877) is 3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)Nc2nc3ccccc3s2)n1.
What is the InChIKey of 3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is WTZGUOMBSVVZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6OS/c11-9-13-7(15-16-9)8(17)14-10-12-5-3-1-2-4-6(5)18-10/h1-4H,(H,12,14,17)(H3,11,13,15,16).
What are the key properties of 3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 260.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzothiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62807877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).