7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide

C13H16N4O2S — CID 114632820

IUPAC7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1sc2nccnc2c1N
InChIInChI=1S/C13H16N4O2S/c1-13(2)6(5-7(13)18)17-11(19)10-8(14)9-12(20-10)16-4-3-15-9/h3-4,6-7,18H,5,14H2,1-2H3,(H,17,19)
InChIKeyNLTNEFRDLSDRBZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.16
Rot. Bonds2

About 7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 114632820) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID114632820
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1sc2nccnc2c1N
InChIInChI=1S/C13H16N4O2S/c1-13(2)6(5-7(13)18)17-11(19)10-8(14)9-12(20-10)16-4-3-15-9/h3-4,6-7,18H,5,14H2,1-2H3,(H,17,19)
InChIKeyNLTNEFRDLSDRBZ-UHFFFAOYSA-N
XLogP1.16
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-amino-N-(2,2-dimethyloxan-4-yl)thieno[2,3-b]pyrazine-6-carboxamide
CID 83036292
3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-2-carboxamide
CID 114628267
7-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 79361178
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 104956547
4-amino-2-(cyclobutylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 114633060
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide
CID 114628278
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide
CID 114630425
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629337
7-amino-N-(thiolan-3-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 107298629
7-amino-N-(thian-2-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 80612702
5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629364
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenylthiophene-2-carboxamide
CID 114631082

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide (CID 114632820) is 7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide is CC1(C)C(O)CC1NC(=O)c1sc2nccnc2c1N.
What is the InChIKey of 7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is NLTNEFRDLSDRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-13(2)6(5-7(13)18)17-11(19)10-8(14)9-12(20-10)16-4-3-15-9/h3-4,6-7,18H,5,14H2,1-2H3,(H,17,19).
What are the key properties of 7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 114632820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).