4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide

C21H25N3O4S — CID 20930812

IUPAC4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(-n2cccc2)sc1C(=O)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H25N3O4S/c1-5-8-15-19(29-21(23-15)24-9-6-7-10-24)20(25)22-13-14-11-16(26-2)18(28-4)17(12-14)27-3/h6-7,9-12H,5,8,13H2,1-4H3,(H,22,25)
InChIKeyLOAMYDZRMPDHJI-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.84
Rot. Bonds9

About 4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide

4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 20930812) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID20930812
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(-n2cccc2)sc1C(=O)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H25N3O4S/c1-5-8-15-19(29-21(23-15)24-9-6-7-10-24)20(25)22-13-14-11-16(26-2)18(28-4)17(12-14)27-3/h6-7,9-12H,5,8,13H2,1-4H3,(H,22,25)
InChIKeyLOAMYDZRMPDHJI-UHFFFAOYSA-N
XLogP3.84
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-pyrrol-1-yl-4-(trifluoromethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 20930799
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 42581776
2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 24503927
4-phenyl-2-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 52898221
N-[(2-methoxyphenyl)methyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134343
4-fluoro-3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 41261795
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26445074
5-methyl-4-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 22585754
4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide
CID 92707101
N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide
CID 46388327
N-(4-acetamidophenyl)-4-butyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 51054339

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 20930812) is 4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide is CCCc1nc(-n2cccc2)sc1C(=O)NCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LOAMYDZRMPDHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-5-8-15-19(29-21(23-15)24-9-6-7-10-24)20(25)22-13-14-11-16(26-2)18(28-4)17(12-14)27-3/h6-7,9-12H,5,8,13H2,1-4H3,(H,22,25).
What are the key properties of 4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-pyrrol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 20930812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).