N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide

C14H17N5O4S — CID 109285387

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2cnc(C(=O)N(C)C3CCS(=O)(=O)C3)cn2)no1
InChIInChI=1S/C14H17N5O4S/c1-9-5-12(18-23-9)17-13-7-15-11(6-16-13)14(20)19(2)10-3-4-24(21,22)8-10/h5-7,10H,3-4,8H2,1-2H3,(H,16,17,18)
InChIKeyYTRFKHYGAWYCFA-UHFFFAOYSA-N
MW351.39 g/mol
LogP0.78
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide (PubChem CID 109285387) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
PubChem CID109285387
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
SMILESCc1cc(Nc2cnc(C(=O)N(C)C3CCS(=O)(=O)C3)cn2)no1
InChIInChI=1S/C14H17N5O4S/c1-9-5-12(18-23-9)17-13-7-15-11(6-16-13)14(20)19(2)10-3-4-24(21,22)8-10/h5-7,10H,3-4,8H2,1-2H3,(H,16,17,18)
InChIKeyYTRFKHYGAWYCFA-UHFFFAOYSA-N
XLogP0.78
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109159530
5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide
CID 109285381
N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109290299
N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide
CID 109276240
2-N-(1,1-dioxothiolan-3-yl)-2-N,6-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112922084
5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109285324
N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide
CID 109282293
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109026846
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285341
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109159471
N-(1,1-dioxothiolan-3-yl)-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104640345
5-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide
CID 109279189

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide (CID 109285387) is N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide is Cc1cc(Nc2cnc(C(=O)N(C)C3CCS(=O)(=O)C3)cn2)no1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
The InChIKey is YTRFKHYGAWYCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S/c1-9-5-12(18-23-9)17-13-7-15-11(6-16-13)14(20)19(2)10-3-4-24(21,22)8-10/h5-7,10H,3-4,8H2,1-2H3,(H,16,17,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 109285387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).