3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide

C16H22N6OS — CID 56722075

IUPAC3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NCCC(=O)Nc2nccs2)cc(C2CCCNC2)n1
InChIInChI=1S/C16H22N6OS/c1-11-20-13(12-3-2-5-17-10-12)9-14(21-11)18-6-4-15(23)22-16-19-7-8-24-16/h7-9,12,17H,2-6,10H2,1H3,(H,18,20,21)(H,19,22,23)
InChIKeyPRBKGXDMRRMECW-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.15
Rot. Bonds6

About 3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide

3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 56722075) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID56722075
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NCCC(=O)Nc2nccs2)cc(C2CCCNC2)n1
InChIInChI=1S/C16H22N6OS/c1-11-20-13(12-3-2-5-17-10-12)9-14(21-11)18-6-4-15(23)22-16-19-7-8-24-16/h7-9,12,17H,2-6,10H2,1H3,(H,18,20,21)(H,19,22,23)
InChIKeyPRBKGXDMRRMECW-UHFFFAOYSA-N
XLogP2.15
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 66509318
N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 175657002
2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
CID 125015515
2-[ethyl(piperidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63636617
1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095428
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56719274
3-methyl-1-[(3S)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 125000494
3-piperidin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 62212222
5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide
CID 50955525
3-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-N-(oxan-4-yl)propanamide
CID 110258144
2-methyl-1-[(3S)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 125009792
N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine
CID 71637319

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide (CID 56722075) is 3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide is Cc1nc(NCCC(=O)Nc2nccs2)cc(C2CCCNC2)n1.
What is the InChIKey of 3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PRBKGXDMRRMECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-11-20-13(12-3-2-5-17-10-12)9-14(21-11)18-6-4-15(23)22-16-19-7-8-24-16/h7-9,12,17H,2-6,10H2,1H3,(H,18,20,21)(H,19,22,23).
What are the key properties of 3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide?
3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 346.46 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 56722075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).