2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

C10H7N5OS — CID 67026513

IUPAC2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESNC(=O)c1ccn2nc(-c3nccs3)ncc12
InChIInChI=1S/C10H7N5OS/c11-8(16)6-1-3-15-7(6)5-13-9(14-15)10-12-2-4-17-10/h1-5H,(H2,11,16)
InChIKeyPTQUOIFMRCIDRM-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.95
Rot. Bonds2

About 2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 67026513) has the molecular formula C10H7N5OS and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID67026513
Molecular FormulaC10H7N5OS
Molecular Weight245.27 g/mol
Exact Mass245.04
IUPAC Name2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESNC(=O)c1ccn2nc(-c3nccs3)ncc12
InChIInChI=1S/C10H7N5OS/c11-8(16)6-1-3-15-7(6)5-13-9(14-15)10-12-2-4-17-10/h1-5H,(H2,11,16)
InChIKeyPTQUOIFMRCIDRM-UHFFFAOYSA-N
XLogP0.95
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-thiazol-2-yl)benzamide;hydrobromide
CID 143596918
2-(1,3-thiazol-2-yl)indolizine-7-carboxamide
CID 150463296
imidazo[1,5-b]pyridazine-4-carboxamide
CID 90687791
2-propyl-5-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 21087167
5-(1,3-thiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 70043365
pyrrolo[1,2-c]pyrimidine-5-carboxamide
CID 175985440
bis[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 146425122
2-[3-(1,3-thiazol-2-yl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 142747312
3-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 82878352
4-methyl-2-(1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]pyrimidine-5-carboxamide
CID 151192506
3-amino-4-(1,3-thiazol-2-ylmethylamino)benzamide
CID 61284227
1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
CID 134578284

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of 2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 67026513) is 2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for 2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is NC(=O)c1ccn2nc(-c3nccs3)ncc12.
What is the InChIKey of 2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is PTQUOIFMRCIDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5OS/c11-8(16)6-1-3-15-7(6)5-13-9(14-15)10-12-2-4-17-10/h1-5H,(H2,11,16).
What are the key properties of 2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 245.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 67026513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).