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

C18H22N6S — CID 110099475

IUPAC4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(-c2cc(CC3CCCN(Cc4cscn4)C3)ncn2)[nH]1
InChIInChI=1S/C18H22N6S/c1-13-7-19-18(23-13)17-6-15(20-11-21-17)5-14-3-2-4-24(8-14)9-16-10-25-12-22-16/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,19,23)
InChIKeyMHHCDCIHQOIYSC-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.09
Rot. Bonds5

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

4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099475) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099475
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(-c2cc(CC3CCCN(Cc4cscn4)C3)ncn2)[nH]1
InChIInChI=1S/C18H22N6S/c1-13-7-19-18(23-13)17-6-15(20-11-21-17)5-14-3-2-4-24(8-14)9-16-10-25-12-22-16/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,19,23)
InChIKeyMHHCDCIHQOIYSC-UHFFFAOYSA-N
XLogP3.09
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-(1-(2-(thiazol-4-yl)ethyl)piperidin-3-yl)pyrimidin-2-amine
CID 44591284
4-[[4-(2-Methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 51104366
4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 51104521
2-Methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 56882695
2-methyl-4-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyridine
CID 70704927
4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842601
2,7-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 50955625
2-Pyrimidin-2-yl-4-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 71892452
4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099476
4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110099523
5-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099659
4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099683

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole (CID 110099475) is 4-[[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-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole is Cc1cnc(-c2cc(CC3CCCN(Cc4cscn4)C3)ncn2)[nH]1.
What is the InChIKey of 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is MHHCDCIHQOIYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-13-7-19-18(23-13)17-6-15(20-11-21-17)5-14-3-2-4-24(8-14)9-16-10-25-12-22-16/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,19,23).
What are the key properties of 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole?
4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 354.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110099475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).