N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine

C16H20N6O2S2 — CID 70713718

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
SMILESCS(=O)(=O)c1cnc(NCc2cn3ccsc3n2)nc1C1CCCNC1
InChIInChI=1S/C16H20N6O2S2/c1-26(23,24)13-9-19-15(21-14(13)11-3-2-4-17-7-11)18-8-12-10-22-5-6-25-16(22)20-12/h5-6,9-11,17H,2-4,7-8H2,1H3,(H,18,19,21)
InChIKeyWMKRYSKEWNLJKK-UHFFFAOYSA-N
MW392.51 g/mol
LogP1.67
Rot. Bonds5

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine (PubChem CID 70713718) has the molecular formula C16H20N6O2S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
PubChem CID70713718
Molecular FormulaC16H20N6O2S2
Molecular Weight392.51 g/mol
Exact Mass392.11
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
SMILESCS(=O)(=O)c1cnc(NCc2cn3ccsc3n2)nc1C1CCCNC1
InChIInChI=1S/C16H20N6O2S2/c1-26(23,24)13-9-19-15(21-14(13)11-3-2-4-17-7-11)18-8-12-10-22-5-6-25-16(22)20-12/h5-6,9-11,17H,2-4,7-8H2,1H3,(H,18,19,21)
InChIKeyWMKRYSKEWNLJKK-UHFFFAOYSA-N
XLogP1.67
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine (CID 70713718) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine is CS(=O)(=O)c1cnc(NCc2cn3ccsc3n2)nc1C1CCCNC1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine?
The InChIKey is WMKRYSKEWNLJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S2/c1-26(23,24)13-9-19-15(21-14(13)11-3-2-4-17-7-11)18-8-12-10-22-5-6-25-16(22)20-12/h5-6,9-11,17H,2-4,7-8H2,1H3,(H,18,19,21).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine has a molecular weight of 392.51 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 70713718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).