4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole

C19H24N6S — CID 110099476

IUPAC4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(-c2cc(CC3CCCN(Cc4scnc4C)C3)ncn2)[nH]1
InChIInChI=1S/C19H24N6S/c1-13-8-20-19(24-13)17-7-16(21-11-22-17)6-15-4-3-5-25(9-15)10-18-14(2)23-12-26-18/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,20,24)
InChIKeyNYBPGINIEXPQRL-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.39
Rot. Bonds5

About 4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole

4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099476) has the molecular formula C19H24N6S and a molecular weight of 368.51 g/mol. Its IUPAC name is 4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099476
Molecular FormulaC19H24N6S
Molecular Weight368.51 g/mol
Exact Mass368.18
IUPAC Name4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(-c2cc(CC3CCCN(Cc4scnc4C)C3)ncn2)[nH]1
InChIInChI=1S/C19H24N6S/c1-13-8-20-19(24-13)17-7-16(21-11-22-17)6-15-4-3-5-25(9-15)10-18-14(2)23-12-26-18/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,20,24)
InChIKeyNYBPGINIEXPQRL-UHFFFAOYSA-N
XLogP3.39
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110099460
4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine
CID 110099473
2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124953767
4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
CID 110099477
N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide
CID 110099457
5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 110099694
4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine
CID 124959054
4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 155983321
4-[[(3R)-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]benzoic acid
CID 124991175
4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 131934362
5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125018235
N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 124998331

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole (CID 110099476) is 4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole is Cc1cnc(-c2cc(CC3CCCN(Cc4scnc4C)C3)ncn2)[nH]1.
What is the InChIKey of 4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is NYBPGINIEXPQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6S/c1-13-8-20-19(24-13)17-7-16(21-11-22-17)6-15-4-3-5-25(9-15)10-18-14(2)23-12-26-18/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,20,24).
What are the key properties of 4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole?
4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 368.51 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110099476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).