N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine

C18H23N7S — CID 155985353

IUPACN-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2ncc(C)s2)nc(C2CCCCN2Cc2ncc[nH]2)n1
InChIInChI=1S/C18H23N7S/c1-12-9-15(24-18-21-10-13(2)26-18)23-17(22-12)14-5-3-4-8-25(14)11-16-19-6-7-20-16/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,19,20)(H,21,22,23,24)
InChIKeyRMGSRVKJQMBYBQ-UHFFFAOYSA-N
MW369.50 g/mol
LogP3.74
Rot. Bonds5

About N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine

N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 155985353) has the molecular formula C18H23N7S and a molecular weight of 369.50 g/mol. Its IUPAC name is N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
PubChem CID155985353
Molecular FormulaC18H23N7S
Molecular Weight369.50 g/mol
Exact Mass369.17
IUPAC NameN-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2ncc(C)s2)nc(C2CCCCN2Cc2ncc[nH]2)n1
InChIInChI=1S/C18H23N7S/c1-12-9-15(24-18-21-10-13(2)26-18)23-17(22-12)14-5-3-4-8-25(14)11-16-19-6-7-20-16/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,19,20)(H,21,22,23,24)
InChIKeyRMGSRVKJQMBYBQ-UHFFFAOYSA-N
XLogP3.74
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine (CID 155985353) is N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine is Cc1cc(Nc2ncc(C)s2)nc(C2CCCCN2Cc2ncc[nH]2)n1.
What is the InChIKey of N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is RMGSRVKJQMBYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7S/c1-12-9-15(24-18-21-10-13(2)26-18)23-17(22-12)14-5-3-4-8-25(14)11-16-19-6-7-20-16/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,19,20)(H,21,22,23,24).
What are the key properties of N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 369.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 155985353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).