2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole

C19H28N4O3S2 — CID 25286307

IUPAC2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole
SMILESCOCCn1c(CN2CCCC[C@@H]2c2nccs2)cnc1S(=O)(=O)CC1CC1
InChIInChI=1S/C19H28N4O3S2/c1-26-10-9-23-16(12-21-19(23)28(24,25)14-15-5-6-15)13-22-8-3-2-4-17(22)18-20-7-11-27-18/h7,11-12,15,17H,2-6,8-10,13-14H2,1H3/t17-/m1/s1
InChIKeyUQIXOBAISFVVHU-QGZVFWFLSA-N
MW424.59 g/mol
LogP2.90
Rot. Bonds9

About 2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole

2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole (PubChem CID 25286307) has the molecular formula C19H28N4O3S2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole
PubChem CID25286307
Molecular FormulaC19H28N4O3S2
Molecular Weight424.59 g/mol
Exact Mass424.16
IUPAC Name2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole
SMILESCOCCn1c(CN2CCCC[C@@H]2c2nccs2)cnc1S(=O)(=O)CC1CC1
InChIInChI=1S/C19H28N4O3S2/c1-26-10-9-23-16(12-21-19(23)28(24,25)14-15-5-6-15)13-22-8-3-2-4-17(22)18-20-7-11-27-18/h7,11-12,15,17H,2-6,8-10,13-14H2,1H3/t17-/m1/s1
InChIKeyUQIXOBAISFVVHU-QGZVFWFLSA-N
XLogP2.90
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole (CID 25286307) is 2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole is COCCn1c(CN2CCCC[C@@H]2c2nccs2)cnc1S(=O)(=O)CC1CC1.
What is the InChIKey of 2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole?
The InChIKey is UQIXOBAISFVVHU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N4O3S2/c1-26-10-9-23-16(12-21-19(23)28(24,25)14-15-5-6-15)13-22-8-3-2-4-17(22)18-20-7-11-27-18/h7,11-12,15,17H,2-6,8-10,13-14H2,1H3/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole?
2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole has a molecular weight of 424.59 g/mol, XLogP of 2.90, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 25286307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).