1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide

C21H23N3O3S — CID 58740420

IUPAC1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(-c3csc(C)n3)cc(C(=O)NC3CCCO3)c2C)cc1
InChIInChI=1S/C21H23N3O3S/c1-13-17(21(25)23-20-5-4-10-27-20)11-19(18-12-28-14(2)22-18)24(13)15-6-8-16(26-3)9-7-15/h6-9,11-12,20H,4-5,10H2,1-3H3,(H,23,25)
InChIKeyGVXDGIFUOZKZDH-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.09
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide

1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide (PubChem CID 58740420) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide
PubChem CID58740420
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(-c3csc(C)n3)cc(C(=O)NC3CCCO3)c2C)cc1
InChIInChI=1S/C21H23N3O3S/c1-13-17(21(25)23-20-5-4-10-27-20)11-19(18-12-28-14(2)22-18)24(13)15-6-8-16(26-3)9-7-15/h6-9,11-12,20H,4-5,10H2,1-3H3,(H,23,25)
InChIKeyGVXDGIFUOZKZDH-UHFFFAOYSA-N
XLogP4.09
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-2-methyl-N-(oxolan-2-yl)pyrrole-3-carboxamide
CID 58740314
N-(cyclohexylmethyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3765066
1-cyclohexyl-2-methyl-N-(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 58740226
2-methyl-N,1-bis(oxolan-2-yl)-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 58740355
N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
CID 4989912
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
CID 3871100
ethyl 4-[4-(butylcarbamoyl)-1-(4-methoxyphenyl)-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylate
CID 58740310
N-butan-2-yl-1-cyclohexyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 58740176
ethyl 4-[1-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-(oxolan-2-ylmethylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate
CID 4995731
5-[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)-2-methyl-1-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
CID 3288885
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 5158390
N-(2-ethylhexyl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
CID 3692819

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide (CID 58740420) is 1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide is COc1ccc(-n2c(-c3csc(C)n3)cc(C(=O)NC3CCCO3)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide?
The InChIKey is GVXDGIFUOZKZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-13-17(21(25)23-20-5-4-10-27-20)11-19(18-12-28-14(2)22-18)24(13)15-6-8-16(26-3)9-7-15/h6-9,11-12,20H,4-5,10H2,1-3H3,(H,23,25).
What are the key properties of 1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide?
1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 58740420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).