2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide

C18H18FN7O3S — CID 162376466

IUPAC2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
SMILESN#Cc1nc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(C(N)=O)n3)CC2)cs1
InChIInChI=1S/C18H18FN7O3S/c19-11-8-22-18(24-15(11)16(21)27)25-4-1-10(2-5-25)17(28)26-13(3-6-29-26)12-9-30-14(7-20)23-12/h8-10,13H,1-6H2,(H2,21,27)/t13-/m0/s1
InChIKeyMYLOKKLAFCHTIS-ZDUSSCGKSA-N
MW431.45 g/mol
LogP1.16
Rot. Bonds4

About 2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide

2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide (PubChem CID 162376466) has the molecular formula C18H18FN7O3S and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
PubChem CID162376466
Molecular FormulaC18H18FN7O3S
Molecular Weight431.45 g/mol
Exact Mass431.12
IUPAC Name2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
SMILESN#Cc1nc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(C(N)=O)n3)CC2)cs1
InChIInChI=1S/C18H18FN7O3S/c19-11-8-22-18(24-15(11)16(21)27)25-4-1-10(2-5-25)17(28)26-13(3-6-29-26)12-9-30-14(7-20)23-12/h8-10,13H,1-6H2,(H2,21,27)/t13-/m0/s1
InChIKeyMYLOKKLAFCHTIS-ZDUSSCGKSA-N
XLogP1.16
TPSA138.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide with MolForge

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Related Compounds

2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
CID 162376527
6-[2-[1-[4-[(Z)-but-2-en-2-yl]-5-phosphanylpyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 170002059
2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile
CID 162376533
5-[5-fluoro-2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-4-one
CID 172581364
3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 170776244
2-methyl-5-[(3S)-2-(1-pyrimidin-2-ylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 169090117
3-[5-fluoro-2-[4-[(3S)-3-(5-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 172581520
2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide
CID 154697985
5-[5-fluoro-2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-4-one
CID 172581446
3-[5-fluoro-2-[4-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 172581466
5-[(3S)-2-[1-(4-formylpyrimidin-2-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 170001085
5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376503

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide?
The IUPAC name of 2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide (CID 162376466) is 2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide is N#Cc1nc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(C(N)=O)n3)CC2)cs1.
What is the InChIKey of 2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide?
The InChIKey is MYLOKKLAFCHTIS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18FN7O3S/c19-11-8-22-18(24-15(11)16(21)27)25-4-1-10(2-5-25)17(28)26-13(3-6-29-26)12-9-30-14(7-20)23-12/h8-10,13H,1-6H2,(H2,21,27)/t13-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide?
2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide is sourced from PubChem (CID 162376466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).