5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid

C17H18N2O3S — CID 123682651

IUPAC5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid
SMILESCCC(NC(=O)c1cc(C(=O)O)c2n1CSC2)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-2-13(11-6-4-3-5-7-11)18-16(20)14-8-12(17(21)22)15-9-23-10-19(14)15/h3-8,13H,2,9-10H2,1H3,(H,18,20)(H,21,22)
InChIKeyRYDWFRKFSIHBOU-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.27
Rot. Bonds5

About 5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid

5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid (PubChem CID 123682651) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid.

Molecular Properties

Compound Name5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid
PubChem CID123682651
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid
SMILESCCC(NC(=O)c1cc(C(=O)O)c2n1CSC2)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-2-13(11-6-4-3-5-7-11)18-16(20)14-8-12(17(21)22)15-9-23-10-19(14)15/h3-8,13H,2,9-10H2,1H3,(H,18,20)(H,21,22)
InChIKeyRYDWFRKFSIHBOU-UHFFFAOYSA-N
XLogP3.27
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3S)-3-phenylpentanoyl]-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid
CID 158624142
7-N-[1-(4-fluorophenyl)ethyl]-5-N-[(1R)-1-phenylpropyl]-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-5,7-dicarboxamide
CID 126514503
3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
CID 123457893
3-N-[2-(4-fluorophenyl)ethyl]-1-N-[(1S)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
CID 71696132
3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
CID 78151822
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
6-N-[1-(6-methoxy-2-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 126514686
6-N-[(1R)-1-phenylpropyl]-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 71696001
8-N-(1,3-oxazol-2-ylmethyl)-6-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 123325887
2,5-dihydroxy-N-(1-phenylpropyl)benzamide
CID 107722884
6-N-[1-(5-methoxypyrazin-2-yl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 126514728
6-N-(cyclopropylmethyl)-6-N-methyl-8-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 123845454

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid?
The IUPAC name of 5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid (CID 123682651) is 5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid.
What is the SMILES notation for 5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid?
The canonical SMILES for 5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid is CCC(NC(=O)c1cc(C(=O)O)c2n1CSC2)c1ccccc1.
What is the InChIKey of 5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid?
The InChIKey is RYDWFRKFSIHBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-2-13(11-6-4-3-5-7-11)18-16(20)14-8-12(17(21)22)15-9-23-10-19(14)15/h3-8,13H,2,9-10H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid?
5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid has a molecular weight of 330.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid is sourced from PubChem (CID 123682651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).