[(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

C23H22FN5OS — CID 67283624

IUPAC[(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCC[C@H]2Cc2cn3c(F)nccc3n2)c(-c2ccccc2)s1
InChIInChI=1S/C23H22FN5OS/c1-15-26-20(21(31-15)16-7-3-2-4-8-16)22(30)28-12-6-5-9-18(28)13-17-14-29-19(27-17)10-11-25-23(29)24/h2-4,7-8,10-11,14,18H,5-6,9,12-13H2,1H3/t18-/m0/s1
InChIKeyGEVDHGIBTMKXPO-SFHVURJKSA-N
MW435.53 g/mol
LogP4.54
Rot. Bonds4

About [(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

[(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 67283624) has the molecular formula C23H22FN5OS and a molecular weight of 435.53 g/mol. Its IUPAC name is [(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID67283624
Molecular FormulaC23H22FN5OS
Molecular Weight435.53 g/mol
Exact Mass435.15
IUPAC Name[(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCC[C@H]2Cc2cn3c(F)nccc3n2)c(-c2ccccc2)s1
InChIInChI=1S/C23H22FN5OS/c1-15-26-20(21(31-15)16-7-3-2-4-8-16)22(30)28-12-6-5-9-18(28)13-17-14-29-19(27-17)10-11-25-23(29)24/h2-4,7-8,10-11,14,18H,5-6,9,12-13H2,1H3/t18-/m0/s1
InChIKeyGEVDHGIBTMKXPO-SFHVURJKSA-N
XLogP4.54
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (CID 67283624) is [(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCCC[C@H]2Cc2cn3c(F)nccc3n2)c(-c2ccccc2)s1.
What is the InChIKey of [(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is GEVDHGIBTMKXPO-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22FN5OS/c1-15-26-20(21(31-15)16-7-3-2-4-8-16)22(30)28-12-6-5-9-18(28)13-17-14-29-19(27-17)10-11-25-23(29)24/h2-4,7-8,10-11,14,18H,5-6,9,12-13H2,1H3/t18-/m0/s1.
What are the key properties of [(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
[(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 435.53 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(5-fluoroimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 67283624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).