N-methyl-N-[[4-(methylamino)-6-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]pyrimidin-2-yl]methyl]acetamide

C19H26N6O2S — CID 95830286

IUPACN-methyl-N-[[4-(methylamino)-6-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]pyrimidin-2-yl]methyl]acetamide
SMILESCNc1cc([C@H]2CCCN(C(=O)c3scnc3C)C2)nc(CN(C)C(C)=O)n1
InChIInChI=1S/C19H26N6O2S/c1-12-18(28-11-21-12)19(27)25-7-5-6-14(9-25)15-8-16(20-3)23-17(22-15)10-24(4)13(2)26/h8,11,14H,5-7,9-10H2,1-4H3,(H,20,22,23)/t14-/m0/s1
InChIKeyBODPSWLKIVMZTR-AWEZNQCLSA-N
MW402.52 g/mol
LogP2.28
Rot. Bonds5

About N-methyl-N-[[4-(methylamino)-6-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]pyrimidin-2-yl]methyl]acetamide

N-methyl-N-[[4-(methylamino)-6-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]pyrimidin-2-yl]methyl]acetamide (PubChem CID 95830286) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylamino)-6-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]pyrimidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylamino)-6-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]pyrimidin-2-yl]methyl]acetamide
PubChem CID95830286
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC NameN-methyl-N-[[4-(methylamino)-6-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]pyrimidin-2-yl]methyl]acetamide
SMILESCNc1cc([C@H]2CCCN(C(=O)c3scnc3C)C2)nc(CN(C)C(C)=O)n1
InChIInChI=1S/C19H26N6O2S/c1-12-18(28-11-21-12)19(27)25-7-5-6-14(9-25)15-8-16(20-3)23-17(22-15)10-24(4)13(2)26/h8,11,14H,5-7,9-10H2,1-4H3,(H,20,22,23)/t14-/m0/s1
InChIKeyBODPSWLKIVMZTR-AWEZNQCLSA-N
XLogP2.28
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110105747
[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110252661
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95814319
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124965658
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110091843
2-(dimethylamino)-4-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821108
[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 43589511
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95845547
[(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95810181
(4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 125005367
3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249773
[(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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylamino)-6-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]pyrimidin-2-yl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[4-(methylamino)-6-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]pyrimidin-2-yl]methyl]acetamide (CID 95830286) is N-methyl-N-[[4-(methylamino)-6-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]pyrimidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[4-(methylamino)-6-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]pyrimidin-2-yl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[4-(methylamino)-6-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]pyrimidin-2-yl]methyl]acetamide is CNc1cc([C@H]2CCCN(C(=O)c3scnc3C)C2)nc(CN(C)C(C)=O)n1.
What is the InChIKey of N-methyl-N-[[4-(methylamino)-6-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]pyrimidin-2-yl]methyl]acetamide?
The InChIKey is BODPSWLKIVMZTR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N6O2S/c1-12-18(28-11-21-12)19(27)25-7-5-6-14(9-25)15-8-16(20-3)23-17(22-15)10-24(4)13(2)26/h8,11,14H,5-7,9-10H2,1-4H3,(H,20,22,23)/t14-/m0/s1.
What are the key properties of N-methyl-N-[[4-(methylamino)-6-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]pyrimidin-2-yl]methyl]acetamide?
N-methyl-N-[[4-(methylamino)-6-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]pyrimidin-2-yl]methyl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylamino)-6-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]pyrimidin-2-yl]methyl]acetamide is sourced from PubChem (CID 95830286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).