[(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone

C19H21N5OS — CID 124964692

IUPAC[(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1nc(-c2nccn2C)cc([C@H]2CCCN(C(=O)c3cccs3)C2)n1
InChIInChI=1S/C19H21N5OS/c1-13-21-15(11-16(22-13)18-20-7-9-23(18)2)14-5-3-8-24(12-14)19(25)17-6-4-10-26-17/h4,6-7,9-11,14H,3,5,8,12H2,1-2H3/t14-/m0/s1
InChIKeyHZJOMDWWXSAJMW-AWEZNQCLSA-N
MW367.48 g/mol
LogP3.27
Rot. Bonds3

About [(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone

[(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 124964692) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is [(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID124964692
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name[(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1nc(-c2nccn2C)cc([C@H]2CCCN(C(=O)c3cccs3)C2)n1
InChIInChI=1S/C19H21N5OS/c1-13-21-15(11-16(22-13)18-20-7-9-23(18)2)14-5-3-8-24(12-14)19(25)17-6-4-10-26-17/h4,6-7,9-11,14H,3,5,8,12H2,1-2H3/t14-/m0/s1
InChIKeyHZJOMDWWXSAJMW-AWEZNQCLSA-N
XLogP3.27
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 110099957
[(3S)-3-[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124964276
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
[3-(cyclopentylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83999954
[3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 132764006
[(3S)-3-[2-(2-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 95094666
[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 92554492
[(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124998077
[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 72938457
(3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110110280
[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 91770991

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 124964692) is [(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone is Cc1nc(-c2nccn2C)cc([C@H]2CCCN(C(=O)c3cccs3)C2)n1.
What is the InChIKey of [(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is HZJOMDWWXSAJMW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-21-15(11-16(22-13)18-20-7-9-23(18)2)14-5-3-8-24(12-14)19(25)17-6-4-10-26-17/h4,6-7,9-11,14H,3,5,8,12H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
[(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 367.48 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 124964692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).