7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H19N5OS — CID 125165240

IUPAC7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)nc2sccn12
InChIInChI=1S/C19H19N5OS/c25-17-11-13(20-19-24(17)9-10-26-19)12-23-8-4-3-7-16(23)18-21-14-5-1-2-6-15(14)22-18/h1-2,5-6,9-11,16H,3-4,7-8,12H2,(H,21,22)/t16-/m0/s1
InChIKeyIICDWISXMSHQNT-INIZCTEOSA-N
MW365.46 g/mol
LogP3.36
Rot. Bonds3

About 7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 125165240) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID125165240
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)nc2sccn12
InChIInChI=1S/C19H19N5OS/c25-17-11-13(20-19-24(17)9-10-26-19)12-23-8-4-3-7-16(23)18-21-14-5-1-2-6-15(14)22-18/h1-2,5-6,9-11,16H,3-4,7-8,12H2,(H,21,22)/t16-/m0/s1
InChIKeyIICDWISXMSHQNT-INIZCTEOSA-N
XLogP3.36
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92830397
2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97138643
7-[[(2S)-2-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2655248
4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 99958850
4-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 77097504
7-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17448130
2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole
CID 56897456
7-[[(2S)-2-cyclohexylpyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 94476831
7-[[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9399600
7-[[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124729291
7-[[2-(2-phenylethenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126799901
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole
CID 77079706

Frequently Asked Questions

What is the IUPAC name of 7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 125165240) is 7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)nc2sccn12.
What is the InChIKey of 7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IICDWISXMSHQNT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N5OS/c25-17-11-13(20-19-24(17)9-10-26-19)12-23-8-4-3-7-16(23)18-21-14-5-1-2-6-15(14)22-18/h1-2,5-6,9-11,16H,3-4,7-8,12H2,(H,21,22)/t16-/m0/s1.
What are the key properties of 7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 365.46 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 125165240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).