4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole

C15H22N4S — CID 131934362

IUPAC4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCCC(Cn2ccnc2C)C1
InChIInChI=1S/C15H22N4S/c1-12-15(20-11-17-12)10-18-6-3-4-14(8-18)9-19-7-5-16-13(19)2/h5,7,11,14H,3-4,6,8-10H2,1-2H3
InChIKeyKBIHQTZPWGBSJJ-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.87
Rot. Bonds4

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

4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 131934362) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID131934362
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCCC(Cn2ccnc2C)C1
InChIInChI=1S/C15H22N4S/c1-12-15(20-11-17-12)10-18-6-3-4-14(8-18)9-19-7-5-16-13(19)2/h5,7,11,14H,3-4,6,8-10H2,1-2H3
InChIKeyKBIHQTZPWGBSJJ-UHFFFAOYSA-N
XLogP2.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 70766458
3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 95707908
4-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole
CID 131946531
(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbaldehyde
CID 142002069
2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole
CID 46981224
8-chloro-2-[[(3R)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]quinoline
CID 92613141
5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 131892163
2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124953767
N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 124998331
4-methyl-5-[[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72844706
N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172881471
4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099476

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole (CID 131934362) is 4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole is Cc1ncsc1CN1CCCC(Cn2ccnc2C)C1.
What is the InChIKey of 4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is KBIHQTZPWGBSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-12-15(20-11-17-12)10-18-6-3-4-14(8-18)9-19-7-5-16-13(19)2/h5,7,11,14H,3-4,6,8-10H2,1-2H3.
What are the key properties of 4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 290.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 131934362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).