2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole

C18H32N4S — CID 131909763

IUPAC2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(CN2CCCC(CN3CCN(C)CC3)C2)n1
InChIInChI=1S/C18H32N4S/c1-15(2)17-14-23-18(19-17)13-22-6-4-5-16(12-22)11-21-9-7-20(3)8-10-21/h14-16H,4-13H2,1-3H3
InChIKeyXMGZEEGYMSXZKN-UHFFFAOYSA-N
MW336.55 g/mol
LogP2.73
Rot. Bonds5

About 2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole

2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole (PubChem CID 131909763) has the molecular formula C18H32N4S and a molecular weight of 336.55 g/mol. Its IUPAC name is 2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole
PubChem CID131909763
Molecular FormulaC18H32N4S
Molecular Weight336.55 g/mol
Exact Mass336.23
IUPAC Name2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(CN2CCCC(CN3CCN(C)CC3)C2)n1
InChIInChI=1S/C18H32N4S/c1-15(2)17-14-23-18(19-17)13-22-6-4-5-16(12-22)11-21-9-7-20(3)8-10-21/h14-16H,4-13H2,1-3H3
InChIKeyXMGZEEGYMSXZKN-UHFFFAOYSA-N
XLogP2.73
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole with MolForge

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Related Compounds

(3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine
CID 42525472
1-propan-2-yl-3-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]urea
CID 95194130
2-methoxy-5-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
CID 131893140
ethyl 4-[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 51633658
(3S)-N-[4-(furan-2-yl)phenyl]-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 25374621
1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine
CID 77081012
1-[[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine
CID 99929588
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propanamide
CID 42392507
2-[(4-cyclopropyl-2-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole
CID 157014325
1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine
CID 99945758
2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 126773878
1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
CID 138810125

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole (CID 131909763) is 2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole is CC(C)c1csc(CN2CCCC(CN3CCN(C)CC3)C2)n1.
What is the InChIKey of 2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is XMGZEEGYMSXZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4S/c1-15(2)17-14-23-18(19-17)13-22-6-4-5-16(12-22)11-21-9-7-20(3)8-10-21/h14-16H,4-13H2,1-3H3.
What are the key properties of 2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole?
2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 336.55 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methyl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 131909763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).