1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide

C19H21N3O2S — CID 71251029

IUPAC1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide
SMILESCc1nc(-c2cc(C(=O)NCCCOc3ccccc3)n(C)c2)cs1
InChIInChI=1S/C19H21N3O2S/c1-14-21-17(13-25-14)15-11-18(22(2)12-15)19(23)20-9-6-10-24-16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,20,23)
InChIKeyIKOZNHBNYDPVHN-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.66
Rot. Bonds7

About 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide

1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide (PubChem CID 71251029) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide
PubChem CID71251029
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide
SMILESCc1nc(-c2cc(C(=O)NCCCOc3ccccc3)n(C)c2)cs1
InChIInChI=1S/C19H21N3O2S/c1-14-21-17(13-25-14)15-11-18(22(2)12-15)19(23)20-9-6-10-24-16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,20,23)
InChIKeyIKOZNHBNYDPVHN-UHFFFAOYSA-N
XLogP3.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carbonyl]amino]propanoic acid
CID 43169959
4-bromo-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 60698861
4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62379112
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide
CID 106166200
1-methyl-N-(3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide
CID 27007771
N-(1-hydroxy-3-methylbutan-2-yl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide
CID 79249351
N-(3-iodo-4-methylphenyl)-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide
CID 27009458
N-(3-methoxypropyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383767
(1-anilino-1-oxopropan-2-yl) 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxylate
CID 42923613
4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62378773
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26953328
3-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]propanoic acid
CID 83967585

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide (CID 71251029) is 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide is Cc1nc(-c2cc(C(=O)NCCCOc3ccccc3)n(C)c2)cs1.
What is the InChIKey of 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide?
The InChIKey is IKOZNHBNYDPVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14-21-17(13-25-14)15-11-18(22(2)12-15)19(23)20-9-6-10-24-16-7-4-3-5-8-16/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,20,23).
What are the key properties of 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide?
1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 71251029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).