2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

C18H23N3O3S2 — CID 30182384

IUPAC2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C18H23N3O3S2/c1-13-6-7-15(26(2,23)24)10-16(13)17(22)20-18-19-14(12-25-18)11-21-8-4-3-5-9-21/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,19,20,22)
InChIKeyUPQFLMSJDYYXCE-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.09
Rot. Bonds5

About 2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 30182384) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID30182384
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C18H23N3O3S2/c1-13-6-7-15(26(2,23)24)10-16(13)17(22)20-18-19-14(12-25-18)11-21-8-4-3-5-9-21/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,19,20,22)
InChIKeyUPQFLMSJDYYXCE-UHFFFAOYSA-N
XLogP3.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 46680066
2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362533
4-[(2-methylphenyl)sulfamoyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 26129310
2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
3-(methylsulfonylmethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30183831
3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30184646
2-chloro-5-nitro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 78775864
3-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 77107873
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 154737418

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide (CID 30182384) is 2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1nc(CN2CCCCC2)cs1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is UPQFLMSJDYYXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-13-6-7-15(26(2,23)24)10-16(13)17(22)20-18-19-14(12-25-18)11-21-8-4-3-5-9-21/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,19,20,22).
What are the key properties of 2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 393.53 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 30182384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).