5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid

C19H24N2O2S2 — CID 146135053

IUPAC5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CN1CCC(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C19H24N2O2S2/c1-12-14(10-17(24-12)19(22)23)11-21-8-6-13(7-9-21)18-20-15-4-2-3-5-16(15)25-18/h10,13H,2-9,11H2,1H3,(H,22,23)
InChIKeyBTZAAGKISZIGPA-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.47
Rot. Bonds4

About 5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid

5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid (PubChem CID 146135053) has the molecular formula C19H24N2O2S2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
PubChem CID146135053
Molecular FormulaC19H24N2O2S2
Molecular Weight376.55 g/mol
Exact Mass376.13
IUPAC Name5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CN1CCC(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C19H24N2O2S2/c1-12-14(10-17(24-12)19(22)23)11-21-8-6-13(7-9-21)18-20-15-4-2-3-5-16(15)25-18/h10,13H,2-9,11H2,1H3,(H,22,23)
InChIKeyBTZAAGKISZIGPA-UHFFFAOYSA-N
XLogP4.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid (CID 146135053) is 5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1CN1CCC(c2nc3c(s2)CCCC3)CC1.
What is the InChIKey of 5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
The InChIKey is BTZAAGKISZIGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S2/c1-12-14(10-17(24-12)19(22)23)11-21-8-6-13(7-9-21)18-20-15-4-2-3-5-16(15)25-18/h10,13H,2-9,11H2,1H3,(H,22,23).
What are the key properties of 5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid has a molecular weight of 376.55 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 146135053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).