4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole

C20H26N6S — CID 97282594

IUPAC4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESCCCc1cnc(C)nc1N1CCC[C@H](c2nccn2Cc2cscn2)C1
InChIInChI=1S/C20H26N6S/c1-3-5-16-10-22-15(2)24-20(16)25-8-4-6-17(11-25)19-21-7-9-26(19)12-18-13-27-14-23-18/h7,9-10,13-14,17H,3-6,8,11-12H2,1-2H3/t17-/m0/s1
InChIKeyMABMEXOGFCZAQN-KRWDZBQOSA-N
MW382.54 g/mol
LogP3.82
Rot. Bonds6

About 4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole

4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 97282594) has the molecular formula C20H26N6S and a molecular weight of 382.54 g/mol. Its IUPAC name is 4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
PubChem CID97282594
Molecular FormulaC20H26N6S
Molecular Weight382.54 g/mol
Exact Mass382.19
IUPAC Name4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESCCCc1cnc(C)nc1N1CCC[C@H](c2nccn2Cc2cscn2)C1
InChIInChI=1S/C20H26N6S/c1-3-5-16-10-22-15(2)24-20(16)25-8-4-6-17(11-25)19-21-7-9-26(19)12-18-13-27-14-23-18/h7,9-10,13-14,17H,3-6,8,11-12H2,1-2H3/t17-/m0/s1
InChIKeyMABMEXOGFCZAQN-KRWDZBQOSA-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-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97280833
N,N-dimethyl-2-[2-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 72854865
5-ethyl-2-methyl-4-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97141189
4-[[2-[(3R)-1-(5-methyl-2-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97284684
4-[[2-[1-(3-methoxypyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72861840
N,N-dimethyl-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrazin-2-amine
CID 72893943
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-[(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
4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72901239
2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 97202523
2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72905841

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole (CID 97282594) is 4-[[2-[(3S)-1-(2-methyl-5-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-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole is CCCc1cnc(C)nc1N1CCC[C@H](c2nccn2Cc2cscn2)C1.
What is the InChIKey of 4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is MABMEXOGFCZAQN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N6S/c1-3-5-16-10-22-15(2)24-20(16)25-8-4-6-17(11-25)19-21-7-9-26(19)12-18-13-27-14-23-18/h7,9-10,13-14,17H,3-6,8,11-12H2,1-2H3/t17-/m0/s1.
What are the key properties of 4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
4-[[2-[(3S)-1-(2-methyl-5-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-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97282594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).