cyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone

C24H32N4O2S — CID 166636003

IUPACcyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone
SMILESCc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2c(s1)COCC2
InChIInChI=1S/C24H32N4O2S/c1-17-19(15-27-10-12-28(13-11-27)23(29)18-5-2-3-6-18)7-4-8-20(17)25-24-26-21-9-14-30-16-22(21)31-24/h4,7-8,18H,2-3,5-6,9-16H2,1H3,(H,25,26)
InChIKeyFFAWUISDFUSKAV-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.10
Rot. Bonds5

About cyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone

cyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone (PubChem CID 166636003) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is cyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone
PubChem CID166636003
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC Namecyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone
SMILESCc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2c(s1)COCC2
InChIInChI=1S/C24H32N4O2S/c1-17-19(15-27-10-12-28(13-11-27)23(29)18-5-2-3-6-18)7-4-8-20(17)25-24-26-21-9-14-30-16-22(21)31-24/h4,7-8,18H,2-3,5-6,9-16H2,1H3,(H,25,26)
InChIKeyFFAWUISDFUSKAV-UHFFFAOYSA-N
XLogP4.10
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone (CID 166636003) is cyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone is Cc1c(CN2CCN(C(=O)C3CCCC3)CC2)cccc1Nc1nc2c(s1)COCC2.
What is the InChIKey of cyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is FFAWUISDFUSKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-17-19(15-27-10-12-28(13-11-27)23(29)18-5-2-3-6-18)7-4-8-20(17)25-24-26-21-9-14-30-16-22(21)31-24/h4,7-8,18H,2-3,5-6,9-16H2,1H3,(H,25,26).
What are the key properties of cyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone?
cyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 440.61 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[[3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-methylphenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 166636003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).