3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C13H14FN5OS — CID 171337722

IUPAC3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cnc(N2CCC(F)(C(=O)Nc3nccs3)C2)nc1
InChIInChI=1S/C13H14FN5OS/c1-9-6-16-11(17-7-9)19-4-2-13(14,8-19)10(20)18-12-15-3-5-21-12/h3,5-7H,2,4,8H2,1H3,(H,15,18,20)
InChIKeyBQQSKCJVPMXKOF-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.80
Rot. Bonds3

About 3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 171337722) has the molecular formula C13H14FN5OS and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID171337722
Molecular FormulaC13H14FN5OS
Molecular Weight307.35 g/mol
Exact Mass307.09
IUPAC Name3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cnc(N2CCC(F)(C(=O)Nc3nccs3)C2)nc1
InChIInChI=1S/C13H14FN5OS/c1-9-6-16-11(17-7-9)19-4-2-13(14,8-19)10(20)18-12-15-3-5-21-12/h3,5-7H,2,4,8H2,1H3,(H,15,18,20)
InChIKeyBQQSKCJVPMXKOF-UHFFFAOYSA-N
XLogP1.80
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[5-Methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 162351870
2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 708835
N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 110466780
2,2,2-trifluoro-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide
CID 130464431
N-[5-[[(4S)-3,3-difluoro-4-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491133
N-[5-[[(3S)-3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491169
N-[5-[[(3S)-3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491291
N-[5-[[(3S)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500134
N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500141
N-[5-[[3,3-difluoro-4-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500145
N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500285
N-[5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500777

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 171337722) is 3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is Cc1cnc(N2CCC(F)(C(=O)Nc3nccs3)C2)nc1.
What is the InChIKey of 3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is BQQSKCJVPMXKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5OS/c1-9-6-16-11(17-7-9)19-4-2-13(14,8-19)10(20)18-12-15-3-5-21-12/h3,5-7H,2,4,8H2,1H3,(H,15,18,20).
What are the key properties of 3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171337722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).