(4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide

C14H20N4O4S2 — CID 70725763

IUPAC(4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
SMILESCc1ncsc1C(=O)N1CCN(C(=O)N(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21
InChIInChI=1S/C14H20N4O4S2/c1-9-12(23-8-15-9)13(19)17-4-5-18(14(20)16(2)3)11-7-24(21,22)6-10(11)17/h8,10-11H,4-7H2,1-3H3/t10-,11+/m0/s1
InChIKeyIGGHAEUOCOJBGK-WDEREUQCSA-N
MW372.47 g/mol
LogP0.06
Rot. Bonds1

About (4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide

(4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide (PubChem CID 70725763) has the molecular formula C14H20N4O4S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide.

Molecular Properties

Compound Name(4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
PubChem CID70725763
Molecular FormulaC14H20N4O4S2
Molecular Weight372.47 g/mol
Exact Mass372.09
IUPAC Name(4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
SMILESCc1ncsc1C(=O)N1CCN(C(=O)N(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21
InChIInChI=1S/C14H20N4O4S2/c1-9-12(23-8-15-9)13(19)17-4-5-18(14(20)16(2)3)11-7-24(21,22)6-10(11)17/h8,10-11H,4-7H2,1-3H3/t10-,11+/m0/s1
InChIKeyIGGHAEUOCOJBGK-WDEREUQCSA-N
XLogP0.06
TPSA90.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
The IUPAC name of (4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide (CID 70725763) is (4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide.
What is the SMILES notation for (4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
The canonical SMILES for (4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide is Cc1ncsc1C(=O)N1CCN(C(=O)N(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21.
What is the InChIKey of (4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
The InChIKey is IGGHAEUOCOJBGK-WDEREUQCSA-N. The full InChI is InChI=1S/C14H20N4O4S2/c1-9-12(23-8-15-9)13(19)17-4-5-18(14(20)16(2)3)11-7-24(21,22)6-10(11)17/h8,10-11H,4-7H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
(4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aR)-N,N-dimethyl-1-(4-methyl-1,3-thiazole-5-carbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide is sourced from PubChem (CID 70725763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).