2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid

C15H14N2O3S — CID 116696537

IUPAC2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)Nc2cccc3c2CCCC3)n1
InChIInChI=1S/C15H14N2O3S/c18-13(14-17-12(8-21-14)15(19)20)16-11-7-3-5-9-4-1-2-6-10(9)11/h3,5,7-8H,1-2,4,6H2,(H,16,18)(H,19,20)
InChIKeyUZCHPIBNTLTUQC-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.97
Rot. Bonds3

About 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid

2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 116696537) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
PubChem CID116696537
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)Nc2cccc3c2CCCC3)n1
InChIInChI=1S/C15H14N2O3S/c18-13(14-17-12(8-21-14)15(19)20)16-11-7-3-5-9-4-1-2-6-10(9)11/h3,5,7-8H,1-2,4,6H2,(H,16,18)(H,19,20)
InChIKeyUZCHPIBNTLTUQC-UHFFFAOYSA-N
XLogP2.97
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696638
5-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618602
4-[(2-bromo-3-methylphenyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104892937
2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696476
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 107856148
2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103752146
2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696597
3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 61092120
2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696510
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
CID 26516067
2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60791578

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid (CID 116696537) is 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)Nc2cccc3c2CCCC3)n1.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is UZCHPIBNTLTUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-13(14-17-12(8-21-14)15(19)20)16-11-7-3-5-9-4-1-2-6-10(9)11/h3,5,7-8H,1-2,4,6H2,(H,16,18)(H,19,20).
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).