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

C20H26N6S — CID 97280833

IUPAC4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESCCCc1cc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)nc(C)n1
InChIInChI=1S/C20H26N6S/c1-3-5-17-10-19(24-15(2)23-17)25-8-4-6-16(11-25)20-21-7-9-26(20)12-18-13-27-14-22-18/h7,9-10,13-14,16H,3-6,8,11-12H2,1-2H3/t16-/m0/s1
InChIKeyPBARIRJMCLSPFW-INIZCTEOSA-N
MW382.54 g/mol
LogP3.82
Rot. Bonds6

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

4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 97280833) has the molecular formula C20H26N6S and a molecular weight of 382.54 g/mol. Its IUPAC name is 4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
PubChem CID97280833
Molecular FormulaC20H26N6S
Molecular Weight382.54 g/mol
Exact Mass382.19
IUPAC Name4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESCCCc1cc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)nc(C)n1
InChIInChI=1S/C20H26N6S/c1-3-5-17-10-19(24-15(2)23-17)25-8-4-6-16(11-25)20-21-7-9-26(20)12-18-13-27-14-22-18/h7,9-10,13-14,16H,3-6,8,11-12H2,1-2H3/t16-/m0/s1
InChIKeyPBARIRJMCLSPFW-INIZCTEOSA-N
XLogP3.82
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72906714
4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine
CID 72857071
2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97282076
4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97282594
N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97209396
4-[[2-[(3R)-1-(5-methyl-2-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97284684
N,N-dimethyl-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrazin-2-amine
CID 72893943
4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97282493
4-[[2-[(3S)-1-pyridin-4-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97202045
2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 72849518
5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 97283118
4-[[2-[1-(3-methoxypyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72861840

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole (CID 97280833) is 4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole is CCCc1cc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)nc(C)n1.
What is the InChIKey of 4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is PBARIRJMCLSPFW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N6S/c1-3-5-17-10-19(24-15(2)23-17)25-8-4-6-16(11-25)20-21-7-9-26(20)12-18-13-27-14-22-18/h7,9-10,13-14,16H,3-6,8,11-12H2,1-2H3/t16-/m0/s1.
What are the key properties of 4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 382.54 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97280833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).