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

C17H20N6S — CID 155983321

IUPAC4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1nc(CC2CCCN(Cc3cscn3)C2)cc(-c2ncc[nH]2)n1
InChIInChI=1S/C17H20N6S/c1-2-13(8-23(5-1)9-15-10-24-12-22-15)6-14-7-16(21-11-20-14)17-18-3-4-19-17/h3-4,7,10-13H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyGWMHDNMMFPYHMK-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.78
Rot. Bonds5

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

4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 155983321) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID155983321
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1nc(CC2CCCN(Cc3cscn3)C2)cc(-c2ncc[nH]2)n1
InChIInChI=1S/C17H20N6S/c1-2-13(8-23(5-1)9-15-10-24-12-22-15)6-14-7-16(21-11-20-14)17-18-3-4-19-17/h3-4,7,10-13H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyGWMHDNMMFPYHMK-UHFFFAOYSA-N
XLogP2.78
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[[6-(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-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099860
4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110099460
4-[[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 124980275
4-(1H-imidazol-2-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine
CID 175662072
4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099476
2-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-5-(1H-imidazol-2-yl)pyrazine
CID 110109890
2-[[(3S)-3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]benzoic acid
CID 125010991
4-[(3-cyclopropyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 64949220
4-[[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 99959433
6-[[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-N-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 124940637
5-[[3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 110099694
2-[2-ethoxy-4-[[(3R)-3-[[6-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 124965499

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole (CID 155983321) is 4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole is c1nc(CC2CCCN(Cc3cscn3)C2)cc(-c2ncc[nH]2)n1.
What is the InChIKey of 4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is GWMHDNMMFPYHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-2-13(8-23(5-1)9-15-10-24-12-22-15)6-14-7-16(21-11-20-14)17-18-3-4-19-17/h3-4,7,10-13H,1-2,5-6,8-9H2,(H,18,19).
What are the key properties of 4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole?
4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 340.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[6-(1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 155983321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).