5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide

C11H12N4O2S — CID 106921642

IUPAC5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide
SMILESCc1nc(Sc2ncc(N)cc2C(N)=O)oc1C
InChIInChI=1S/C11H12N4O2S/c1-5-6(2)17-11(15-5)18-10-8(9(13)16)3-7(12)4-14-10/h3-4H,12H2,1-2H3,(H2,13,16)
InChIKeyVDEGGUQCVZEFFR-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.52
Rot. Bonds3

About 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide

5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide (PubChem CID 106921642) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide
PubChem CID106921642
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide
SMILESCc1nc(Sc2ncc(N)cc2C(N)=O)oc1C
InChIInChI=1S/C11H12N4O2S/c1-5-6(2)17-11(15-5)18-10-8(9(13)16)3-7(12)4-14-10/h3-4H,12H2,1-2H3,(H2,13,16)
InChIKeyVDEGGUQCVZEFFR-UHFFFAOYSA-N
XLogP1.52
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Cyclopropyl-5-[4-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 47055415
3-{4-[5-Methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carbonyl}-2-(methylsulfanyl)pyridine
CID 53168359
N-(2-{[(5-methyl-1,3-oxazol-4-yl)carbonyl]amino}ethyl)nicotinamide
CID 74231942
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47896295
2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 87043471
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106922443
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 113247112
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 114180172
2-Methyl-5-[4-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 55609383
5-Amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide
CID 61357833
5-Amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide
CID 62254694
N-(6-methylsulfonyl-3-pyridinyl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 72019211

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide (CID 106921642) is 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide is Cc1nc(Sc2ncc(N)cc2C(N)=O)oc1C.
What is the InChIKey of 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide?
The InChIKey is VDEGGUQCVZEFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-5-6(2)17-11(15-5)18-10-8(9(13)16)3-7(12)4-14-10/h3-4H,12H2,1-2H3,(H2,13,16).
What are the key properties of 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide?
5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 106921642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).