2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

C16H20FN5OS — CID 84592874

IUPAC2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)C)sc1C(=O)NC1CCN(c2ncccc2F)C1
InChIInChI=1S/C16H20FN5OS/c1-10-13(24-16(19-10)21(2)3)15(23)20-11-6-8-22(9-11)14-12(17)5-4-7-18-14/h4-5,7,11H,6,8-9H2,1-3H3,(H,20,23)
InChIKeyOVWZXJPJFQQUAK-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.06
Rot. Bonds4

About 2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 84592874) has the molecular formula C16H20FN5OS and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID84592874
Molecular FormulaC16H20FN5OS
Molecular Weight349.44 g/mol
Exact Mass349.14
IUPAC Name2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)C)sc1C(=O)NC1CCN(c2ncccc2F)C1
InChIInChI=1S/C16H20FN5OS/c1-10-13(24-16(19-10)21(2)3)15(23)20-11-6-8-22(9-11)14-12(17)5-4-7-18-14/h4-5,7,11H,6,8-9H2,1-3H3,(H,20,23)
InChIKeyOVWZXJPJFQQUAK-UHFFFAOYSA-N
XLogP2.06
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 71921906
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]urea
CID 97222896
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide
CID 136564462
5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 126773696
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
CID 119051968
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide
CID 91206014
2,4-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 119104884
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 139012938
2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 121144771
2-[[[[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]amino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110045494
2-(3-bromopyrrolidin-1-yl)-3-fluoropyridine
CID 80666888

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 84592874) is 2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N(C)C)sc1C(=O)NC1CCN(c2ncccc2F)C1.
What is the InChIKey of 2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OVWZXJPJFQQUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5OS/c1-10-13(24-16(19-10)21(2)3)15(23)20-11-6-8-22(9-11)14-12(17)5-4-7-18-14/h4-5,7,11H,6,8-9H2,1-3H3,(H,20,23).
What are the key properties of 2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84592874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).