4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C18H19N3OS — CID 20889831

IUPAC4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C18H19N3OS/c1-14-16(23-18(20-14)21-12-5-6-13-21)17(22)19-11-7-10-15-8-3-2-4-9-15/h2-6,8-9,12-13H,7,10-11H2,1H3,(H,19,22)
InChIKeyGLHPJINCABKYIO-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.60
Rot. Bonds6

About 4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 20889831) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID20889831
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NCCCc1ccccc1
InChIInChI=1S/C18H19N3OS/c1-14-16(23-18(20-14)21-12-5-6-13-21)17(22)19-11-7-10-15-8-3-2-4-9-15/h2-6,8-9,12-13H,7,10-11H2,1H3,(H,19,22)
InChIKeyGLHPJINCABKYIO-UHFFFAOYSA-N
XLogP3.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 29133126
N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53013907
N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 42569304
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 42581776
N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide
CID 24984128
N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 71793404
4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 122263393
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 110205611
N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
(2S)-3-methyl-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 45490970
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 71803198

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 20889831) is 4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)NCCCc1ccccc1.
What is the InChIKey of 4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GLHPJINCABKYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-14-16(23-18(20-14)21-12-5-6-13-21)17(22)19-11-7-10-15-8-3-2-4-9-15/h2-6,8-9,12-13H,7,10-11H2,1H3,(H,19,22).
What are the key properties of 4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 20889831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).