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

C18H26N6O2S2 — CID 95820160

IUPAC5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C18H26N6O2S2/c1-13-12-19-18(27-13)22-17-11-15(20-14(2)21-17)16-7-6-10-24(16)28(25,26)23-8-4-3-5-9-23/h11-12,16H,3-10H2,1-2H3,(H,19,20,21,22)/t16-/m0/s1
InChIKeyOQFJGJGIKRCENC-INIZCTEOSA-N
MW422.58 g/mol
LogP3.16
Rot. Bonds5

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

5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 95820160) has the molecular formula C18H26N6O2S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID95820160
Molecular FormulaC18H26N6O2S2
Molecular Weight422.58 g/mol
Exact Mass422.16
IUPAC Name5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C18H26N6O2S2/c1-13-12-19-18(27-13)22-17-11-15(20-14(2)21-17)16-7-6-10-24(16)28(25,26)23-8-4-3-5-9-23/h11-12,16H,3-10H2,1-2H3,(H,19,20,21,22)/t16-/m0/s1
InChIKeyOQFJGJGIKRCENC-INIZCTEOSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 95820160) is 5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2S(=O)(=O)N2CCCCC2)n1.
What is the InChIKey of 5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is OQFJGJGIKRCENC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N6O2S2/c1-13-12-19-18(27-13)22-17-11-15(20-14(2)21-17)16-7-6-10-24(16)28(25,26)23-8-4-3-5-9-23/h11-12,16H,3-10H2,1-2H3,(H,19,20,21,22)/t16-/m0/s1.
What are the key properties of 5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 422.58 g/mol, XLogP of 3.16, 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-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 95820160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).