6-methyl-N-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide

C12H18N4OS — CID 127770607

IUPAC6-methyl-N-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
SMILESCN1CCC2CCN(C(=O)Nc3nccs3)C2C1
InChIInChI=1S/C12H18N4OS/c1-15-5-2-9-3-6-16(10(9)8-15)12(17)14-11-13-4-7-18-11/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,13,14,17)
InChIKeyYIIYOZHSONORBC-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.70
Rot. Bonds1

About 6-methyl-N-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide

6-methyl-N-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide (PubChem CID 127770607) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 6-methyl-N-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
PubChem CID127770607
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name6-methyl-N-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
SMILESCN1CCC2CCN(C(=O)Nc3nccs3)C2C1
InChIInChI=1S/C12H18N4OS/c1-15-5-2-9-3-6-16(10(9)8-15)12(17)14-11-13-4-7-18-11/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,13,14,17)
InChIKeyYIIYOZHSONORBC-UHFFFAOYSA-N
XLogP1.70
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide?
The IUPAC name of 6-methyl-N-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide (CID 127770607) is 6-methyl-N-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide.
What is the SMILES notation for 6-methyl-N-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide?
The canonical SMILES for 6-methyl-N-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide is CN1CCC2CCN(C(=O)Nc3nccs3)C2C1.
What is the InChIKey of 6-methyl-N-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide?
The InChIKey is YIIYOZHSONORBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-15-5-2-9-3-6-16(10(9)8-15)12(17)14-11-13-4-7-18-11/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,13,14,17).
What are the key properties of 6-methyl-N-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide?
6-methyl-N-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide is sourced from PubChem (CID 127770607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).