1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide

C16H21N5O2S — CID 118980982

IUPAC1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide
SMILESCC(C)C(=O)N1CCc2nc(NC(=O)C3CCN(C#N)C3)sc2C1
InChIInChI=1S/C16H21N5O2S/c1-10(2)15(23)21-6-4-12-13(8-21)24-16(18-12)19-14(22)11-3-5-20(7-11)9-17/h10-11H,3-8H2,1-2H3,(H,18,19,22)
InChIKeyZAZOVMMGZINFAU-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.43
Rot. Bonds3

About 1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide

1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide (PubChem CID 118980982) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide
PubChem CID118980982
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide
SMILESCC(C)C(=O)N1CCc2nc(NC(=O)C3CCN(C#N)C3)sc2C1
InChIInChI=1S/C16H21N5O2S/c1-10(2)15(23)21-6-4-12-13(8-21)24-16(18-12)19-14(22)11-3-5-20(7-11)9-17/h10-11H,3-8H2,1-2H3,(H,18,19,22)
InChIKeyZAZOVMMGZINFAU-UHFFFAOYSA-N
XLogP1.43
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1-aminoethenylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-methylpropan-1-one
CID 134372370
(3S)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-cyanopyrrolidine-3-carboxamide;(3S)-1-cyano-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-3-carboxamide
CID 158976642
tert-butyl 3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 175075938
N-(5-propanoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclobutanecarboxamide
CID 90531074
N-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531084
1-methylsulfonyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide
CID 90532801
N-[5-(2-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525591
1-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981004
2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 92634184
N-[5-(4-methylthiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 56765048
N-[5-(3,3-diphenylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525605
1-(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-cyclopentylurea
CID 90529287

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide (CID 118980982) is 1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide is CC(C)C(=O)N1CCc2nc(NC(=O)C3CCN(C#N)C3)sc2C1.
What is the InChIKey of 1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is ZAZOVMMGZINFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10(2)15(23)21-6-4-12-13(8-21)24-16(18-12)19-14(22)11-3-5-20(7-11)9-17/h10-11H,3-8H2,1-2H3,(H,18,19,22).
What are the key properties of 1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide?
1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 118980982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).