1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C15H16FN5OS — CID 171334192

IUPAC1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1(F)CCN(c2ncnc3c2CCC3)C1
InChIInChI=1S/C15H16FN5OS/c16-15(13(22)20-14-17-5-7-23-14)4-6-21(8-15)12-10-2-1-3-11(10)18-9-19-12/h5,7,9H,1-4,6,8H2,(H,17,20,22)
InChIKeyLFIVLBCOWTUYEB-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.98
Rot. Bonds3

About 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 171334192) has the molecular formula C15H16FN5OS and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID171334192
Molecular FormulaC15H16FN5OS
Molecular Weight333.39 g/mol
Exact Mass333.11
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1(F)CCN(c2ncnc3c2CCC3)C1
InChIInChI=1S/C15H16FN5OS/c16-15(13(22)20-14-17-5-7-23-14)4-6-21(8-15)12-10-2-1-3-11(10)18-9-19-12/h5,7,9H,1-4,6,8H2,(H,17,20,22)
InChIKeyLFIVLBCOWTUYEB-UHFFFAOYSA-N
XLogP1.98
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 171334192) is 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1nccs1)C1(F)CCN(c2ncnc3c2CCC3)C1.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is LFIVLBCOWTUYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5OS/c16-15(13(22)20-14-17-5-7-23-14)4-6-21(8-15)12-10-2-1-3-11(10)18-9-19-12/h5,7,9H,1-4,6,8H2,(H,17,20,22).
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171334192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).