N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide

C15H21N5O3S — CID 56757396

IUPACN-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)Cc1nc(C(=O)N[C@H]2C[C@H]3C(=O)N(C)CC(=O)N3C2)cs1
InChIInChI=1S/C15H21N5O3S/c1-18(2)6-12-17-10(8-24-12)14(22)16-9-4-11-15(23)19(3)7-13(21)20(11)5-9/h8-9,11H,4-7H2,1-3H3,(H,16,22)/t9-,11-/m0/s1
InChIKeyWWPMSKIEZSUBOU-ONGXEEELSA-N
MW351.43 g/mol
LogP-0.62
Rot. Bonds4

About N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide

N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 56757396) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide
PubChem CID56757396
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC NameN-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)Cc1nc(C(=O)N[C@H]2C[C@H]3C(=O)N(C)CC(=O)N3C2)cs1
InChIInChI=1S/C15H21N5O3S/c1-18(2)6-12-17-10(8-24-12)14(22)16-9-4-11-15(23)19(3)7-13(21)20(11)5-9/h8-9,11H,4-7H2,1-3H3,(H,16,22)/t9-,11-/m0/s1
InChIKeyWWPMSKIEZSUBOU-ONGXEEELSA-N
XLogP-0.62
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide (CID 56757396) is N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide is CN(C)Cc1nc(C(=O)N[C@H]2C[C@H]3C(=O)N(C)CC(=O)N3C2)cs1.
What is the InChIKey of N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WWPMSKIEZSUBOU-ONGXEEELSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-18(2)6-12-17-10(8-24-12)14(22)16-9-4-11-15(23)19(3)7-13(21)20(11)5-9/h8-9,11H,4-7H2,1-3H3,(H,16,22)/t9-,11-/m0/s1.
What are the key properties of N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide?
N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 351.43 g/mol, XLogP of -0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56757396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).