2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid

C16H12N2O3S — CID 166178694

IUPAC2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(NCc1nc(C(=O)O)cs1)c1ccc2ccccc2c1
InChIInChI=1S/C16H12N2O3S/c19-15(17-8-14-18-13(9-22-14)16(20)21)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9H,8H2,(H,17,19)(H,20,21)
InChIKeyXYWTVJJFRYOZRU-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.92
Rot. Bonds4

About 2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid

2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 166178694) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID166178694
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Name2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(NCc1nc(C(=O)O)cs1)c1ccc2ccccc2c1
InChIInChI=1S/C16H12N2O3S/c19-15(17-8-14-18-13(9-22-14)16(20)21)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9H,8H2,(H,17,19)(H,20,21)
InChIKeyXYWTVJJFRYOZRU-UHFFFAOYSA-N
XLogP2.92
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381423
2-[[(3-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380639
2-[(1,3-benzothiazole-6-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379878
2-[[(3-cyanobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380263
2-[[(3-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379283
2-[(indolizine-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 91645018
2-(benzamidomethyl)-1,3-thiazole-4-carboxylate
CID 7140214
2-[[(4-propan-2-ylsulfonylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244921
2-[[(3-cyclopentyloxy-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527073
2-[[(4-butoxy-3-ethoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245284
2-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375392
2-[2-[(3-hydroxy-4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374641

Frequently Asked Questions

What is the IUPAC name of 2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid (CID 166178694) is 2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid is O=C(NCc1nc(C(=O)O)cs1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is XYWTVJJFRYOZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-15(17-8-14-18-13(9-22-14)16(20)21)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9H,8H2,(H,17,19)(H,20,21).
What are the key properties of 2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid?
2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 166178694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).