3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone

C16H19N5OS — CID 166210293

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(Nc2ccccn2)n1)N1CCN2CCCC2C1
InChIInChI=1S/C16H19N5OS/c22-15(21-9-8-20-7-3-4-12(20)10-21)13-11-23-16(18-13)19-14-5-1-2-6-17-14/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,18,19)
InChIKeyICXSXKGLPZPRJQ-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.20
Rot. Bonds3

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 166210293) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
PubChem CID166210293
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(Nc2ccccn2)n1)N1CCN2CCCC2C1
InChIInChI=1S/C16H19N5OS/c22-15(21-9-8-20-7-3-4-12(20)10-21)13-11-23-16(18-13)19-14-5-1-2-6-17-14/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,18,19)
InChIKeyICXSXKGLPZPRJQ-UHFFFAOYSA-N
XLogP2.20
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 90509743
4-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 90509889
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 90509886
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 90509751
N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509772
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 90509872
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone
CID 66390633
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1,3-thiazol-4-yl)methanone
CID 63048030
N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509762
1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 42813146
2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 110270492
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 24790572

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone (CID 166210293) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone is O=C(c1csc(Nc2ccccn2)n1)N1CCN2CCCC2C1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is ICXSXKGLPZPRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c22-15(21-9-8-20-7-3-4-12(20)10-21)13-11-23-16(18-13)19-14-5-1-2-6-17-14/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,18,19).
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 329.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 166210293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).