4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole

C17H22N6S — CID 72937395

IUPAC4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(Cc2nc(C3CCCC3)nn2CCc2cnc[nH]2)cs1
InChIInChI=1S/C17H22N6S/c1-12-20-15(10-24-12)8-16-21-17(13-4-2-3-5-13)22-23(16)7-6-14-9-18-11-19-14/h9-11,13H,2-8H2,1H3,(H,18,19)
InChIKeyMZGGZEUHWCMYRR-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.26
Rot. Bonds6

About 4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole

4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 72937395) has the molecular formula C17H22N6S and a molecular weight of 342.47 g/mol. Its IUPAC name is 4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID72937395
Molecular FormulaC17H22N6S
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC Name4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(Cc2nc(C3CCCC3)nn2CCc2cnc[nH]2)cs1
InChIInChI=1S/C17H22N6S/c1-12-20-15(10-24-12)8-16-21-17(13-4-2-3-5-13)22-23(16)7-6-14-9-18-11-19-14/h9-11,13H,2-8H2,1H3,(H,18,19)
InChIKeyMZGGZEUHWCMYRR-UHFFFAOYSA-N
XLogP3.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one
CID 163309689
5-[2-(benzenesulfonyl)ethyl]-3-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole
CID 74250876
4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 62721471
5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole
CID 74250871
cyclohexyl-[(2S)-2-[2-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone
CID 74235345
5-bromo-6-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-4-thione
CID 106482214
2-[1-[2-(1H-imidazol-5-yl)ethyl]-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146046346
(5R)-5-[[2-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
CID 163310817
4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
CID 174858890
5-bromo-4-cyclopentyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidin-6-one
CID 136729648
3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62797882
(1R,2R,4S)-4-[2-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]-2-propoxycyclohexan-1-amine
CID 166624359

Frequently Asked Questions

What is the IUPAC name of 4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole (CID 72937395) is 4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(Cc2nc(C3CCCC3)nn2CCc2cnc[nH]2)cs1.
What is the InChIKey of 4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is MZGGZEUHWCMYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S/c1-12-20-15(10-24-12)8-16-21-17(13-4-2-3-5-13)22-23(16)7-6-14-9-18-11-19-14/h9-11,13H,2-8H2,1H3,(H,18,19).
What are the key properties of 4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole?
4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 342.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 72937395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).