5-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid

C16H18N2O3S2 — CID 119183746

IUPAC5-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
SMILESCc1nc(C2CCCN(C(=O)c3ccc(C(=O)O)s3)C2)sc1C
InChIInChI=1S/C16H18N2O3S2/c1-9-10(2)22-14(17-9)11-4-3-7-18(8-11)15(19)12-5-6-13(23-12)16(20)21/h5-6,11H,3-4,7-8H2,1-2H3,(H,20,21)
InChIKeyDFFKTNJXWRWDIB-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.54
Rot. Bonds3

About 5-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid

5-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid (PubChem CID 119183746) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
PubChem CID119183746
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name5-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
SMILESCc1nc(C2CCCN(C(=O)c3ccc(C(=O)O)s3)C2)sc1C
InChIInChI=1S/C16H18N2O3S2/c1-9-10(2)22-14(17-9)11-4-3-7-18(8-11)15(19)12-5-6-13(23-12)16(20)21/h5-6,11H,3-4,7-8H2,1-2H3,(H,20,21)
InChIKeyDFFKTNJXWRWDIB-UHFFFAOYSA-N
XLogP3.54
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-({1-[(2-Isopropyl-4-methyl-1,3-thiazol-5-yl)carbonyl]pyrrolidin-3-yl}methyl)benzoic acid
CID 56909941
5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid
CID 138021361
5-methyl-4-[[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 164634219
5-[[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 164639446
3-[[methyl-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]thiophene-2-carboxylic acid
CID 164640429
5-[Methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamoyl]thiophene-2-carboxylic acid
CID 119187025
4-[3-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-3-fluorobenzoic acid
CID 120391201
3-Fluoro-4-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]carbamoyl]benzoic acid
CID 120551424
5-[3-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 121918724
5-Methyl-4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 167842789
2-[2-(6-Ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39159052
Methyl 5-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylate
CID 53596372

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid (CID 119183746) is 5-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid is Cc1nc(C2CCCN(C(=O)c3ccc(C(=O)O)s3)C2)sc1C.
What is the InChIKey of 5-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid?
The InChIKey is DFFKTNJXWRWDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-9-10(2)22-14(17-9)11-4-3-7-18(8-11)15(19)12-5-6-13(23-12)16(20)21/h5-6,11H,3-4,7-8H2,1-2H3,(H,20,21).
What are the key properties of 5-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid?
5-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid has a molecular weight of 350.47 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 119183746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).