N-[1-azido-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C14H21N7O2S — CID 23087901

IUPACN-[1-azido-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)NC(CN=[N+]=[N-])CC(=O)N(C)C)sc2C1
InChIInChI=1S/C14H21N7O2S/c1-20(2)12(22)6-9(7-16-19-15)17-13(23)14-18-10-4-5-21(3)8-11(10)24-14/h9H,4-8H2,1-3H3,(H,17,23)
InChIKeyFDUNNFMTDCRAAF-UHFFFAOYSA-N
MW351.44 g/mol
LogP1.02
Rot. Bonds6

About N-[1-azido-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[1-azido-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 23087901) has the molecular formula C14H21N7O2S and a molecular weight of 351.44 g/mol. Its IUPAC name is N-[1-azido-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-azido-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID23087901
Molecular FormulaC14H21N7O2S
Molecular Weight351.44 g/mol
Exact Mass351.15
IUPAC NameN-[1-azido-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)NC(CN=[N+]=[N-])CC(=O)N(C)C)sc2C1
InChIInChI=1S/C14H21N7O2S/c1-20(2)12(22)6-9(7-16-19-15)17-13(23)14-18-10-4-5-21(3)8-11(10)24-14/h9H,4-8H2,1-3H3,(H,17,23)
InChIKeyFDUNNFMTDCRAAF-UHFFFAOYSA-N
XLogP1.02
TPSA114.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-azido-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[1-azido-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 23087901) is N-[1-azido-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-azido-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[1-azido-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)NC(CN=[N+]=[N-])CC(=O)N(C)C)sc2C1.
What is the InChIKey of N-[1-azido-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is FDUNNFMTDCRAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2S/c1-20(2)12(22)6-9(7-16-19-15)17-13(23)14-18-10-4-5-21(3)8-11(10)24-14/h9H,4-8H2,1-3H3,(H,17,23).
What are the key properties of N-[1-azido-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[1-azido-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-azido-4-(dimethylamino)-4-oxobutan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 23087901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).