2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C21H24N4O2S — CID 75444578

IUPAC2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cccc(NC2CCN(C(=O)c3cnc4sc(C)c(C)n4c3=O)CC2)c1
InChIInChI=1S/C21H24N4O2S/c1-13-5-4-6-17(11-13)23-16-7-9-24(10-8-16)19(26)18-12-22-21-25(20(18)27)14(2)15(3)28-21/h4-6,11-12,16,23H,7-10H2,1-3H3
InChIKeyIGCLEXAMGOUWEX-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.40
Rot. Bonds3

About 2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 75444578) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID75444578
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cccc(NC2CCN(C(=O)c3cnc4sc(C)c(C)n4c3=O)CC2)c1
InChIInChI=1S/C21H24N4O2S/c1-13-5-4-6-17(11-13)23-16-7-9-24(10-8-16)19(26)18-12-22-21-25(20(18)27)14(2)15(3)28-21/h4-6,11-12,16,23H,7-10H2,1-3H3
InChIKeyIGCLEXAMGOUWEX-UHFFFAOYSA-N
XLogP3.40
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethyl-6-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 99821358
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
2,3-dimethyl-N-[(3-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99819584
2,3-dimethyl-6-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 166619586
2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892722
6-cyclopropyl-4-[4-(3-methylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 127903587
2,3-dimethyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248405
(5-chloro-1H-indazol-3-yl)-[4-(3-methylanilino)piperidin-1-yl]methanone
CID 136537801
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone
CID 120647291
(2S)-2-amino-3,3-dimethyl-1-[4-(3-methylanilino)piperidin-1-yl]butan-1-one
CID 119892713
6-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 74244352
N-(4-chlorophenyl)-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99821357

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 75444578) is 2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cccc(NC2CCN(C(=O)c3cnc4sc(C)c(C)n4c3=O)CC2)c1.
What is the InChIKey of 2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IGCLEXAMGOUWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-13-5-4-6-17(11-13)23-16-7-9-24(10-8-16)19(26)18-12-22-21-25(20(18)27)14(2)15(3)28-21/h4-6,11-12,16,23H,7-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 396.52 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[4-(3-methylanilino)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 75444578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).