5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide

C14H23N5OS — CID 103383282

IUPAC5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1N1CCN2CCCC2C1
InChIInChI=1S/C14H23N5OS/c1-9(2)16-13(20)11-12(15)17-21-14(11)19-7-6-18-5-3-4-10(18)8-19/h9-10H,3-8H2,1-2H3,(H2,15,17)(H,16,20)
InChIKeyWZLNHXOBKFXFGO-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.15
Rot. Bonds3

About 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide

5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103383282) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103383282
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1N1CCN2CCCC2C1
InChIInChI=1S/C14H23N5OS/c1-9(2)16-13(20)11-12(15)17-21-14(11)19-7-6-18-5-3-4-10(18)8-19/h9-10H,3-8H2,1-2H3,(H2,15,17)(H,16,20)
InChIKeyWZLNHXOBKFXFGO-UHFFFAOYSA-N
XLogP1.15
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide with MolForge

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Related Compounds

4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 124749236
5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103362856
3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380603
methyl 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103384135
3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide
CID 103383893
4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103381799
methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate
CID 103382204
5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381010
methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate
CID 103382171
3-amino-5-[cyclopropyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381469
4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103381800
3-amino-5-[(1-methylpiperidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103379241

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103383282) is 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1N1CCN2CCCC2C1.
What is the InChIKey of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is WZLNHXOBKFXFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-9(2)16-13(20)11-12(15)17-21-14(11)19-7-6-18-5-3-4-10(18)8-19/h9-10H,3-8H2,1-2H3,(H2,15,17)(H,16,20).
What are the key properties of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide?
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103383282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).