5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

C18H26N6O2S2 — CID 124977783

IUPAC5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ncc(C)s2)cc([C@H]2CCN(S(=O)(=O)N3CCCCC3)C2)n1
InChIInChI=1S/C18H26N6O2S2/c1-13-11-19-18(27-13)22-17-10-16(20-14(2)21-17)15-6-9-24(12-15)28(25,26)23-7-4-3-5-8-23/h10-11,15H,3-9,12H2,1-2H3,(H,19,20,21,22)/t15-/m0/s1
InChIKeyLPASLSPZOVVJLZ-HNNXBMFYSA-N
MW422.58 g/mol
LogP2.81
Rot. Bonds5

About 5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 124977783) has the molecular formula C18H26N6O2S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID124977783
Molecular FormulaC18H26N6O2S2
Molecular Weight422.58 g/mol
Exact Mass422.16
IUPAC Name5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ncc(C)s2)cc([C@H]2CCN(S(=O)(=O)N3CCCCC3)C2)n1
InChIInChI=1S/C18H26N6O2S2/c1-13-11-19-18(27-13)22-17-10-16(20-14(2)21-17)15-6-9-24(12-15)28(25,26)23-7-4-3-5-8-23/h10-11,15H,3-9,12H2,1-2H3,(H,19,20,21,22)/t15-/m0/s1
InChIKeyLPASLSPZOVVJLZ-HNNXBMFYSA-N
XLogP2.81
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95820160
1-[(3S)-3-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 124999407
2-[3-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanol
CID 155985356
2-cyclohexyl-1-[4-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110095213
1-[(3S)-3-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 125004494
(3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide
CID 124949686
5-methyl-N-(2-methyl-6-piperidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 175662363
N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine
CID 124970651
1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095428
5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 125002477
cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
CID 155985119
N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 155985108

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 124977783) is 5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCN(S(=O)(=O)N3CCCCC3)C2)n1.
What is the InChIKey of 5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is LPASLSPZOVVJLZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N6O2S2/c1-13-11-19-18(27-13)22-17-10-16(20-14(2)21-17)15-6-9-24(12-15)28(25,26)23-7-4-3-5-8-23/h10-11,15H,3-9,12H2,1-2H3,(H,19,20,21,22)/t15-/m0/s1.
What are the key properties of 5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 422.58 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 124977783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).