N-(2,4-dimethoxyphenyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide

C22H28N6O3S — CID 46335757

IUPACN-(2,4-dimethoxyphenyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide
SMILESCCCN1CCN(c2nnc(-n3cccc3C(=O)Nc3ccc(OC)cc3OC)s2)CC1
InChIInChI=1S/C22H28N6O3S/c1-4-9-26-11-13-27(14-12-26)21-24-25-22(32-21)28-10-5-6-18(28)20(29)23-17-8-7-16(30-2)15-19(17)31-3/h5-8,10,15H,4,9,11-14H2,1-3H3,(H,23,29)
InChIKeyHGWDWESFSVHOGU-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.13
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide

N-(2,4-dimethoxyphenyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide (PubChem CID 46335757) has the molecular formula C22H28N6O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide
PubChem CID46335757
Molecular FormulaC22H28N6O3S
Molecular Weight456.57 g/mol
Exact Mass456.19
IUPAC NameN-(2,4-dimethoxyphenyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide
SMILESCCCN1CCN(c2nnc(-n3cccc3C(=O)Nc3ccc(OC)cc3OC)s2)CC1
InChIInChI=1S/C22H28N6O3S/c1-4-9-26-11-13-27(14-12-26)21-24-25-22(32-21)28-10-5-6-18(28)20(29)23-17-8-7-16(30-2)15-19(17)31-3/h5-8,10,15H,4,9,11-14H2,1-3H3,(H,23,29)
InChIKeyHGWDWESFSVHOGU-UHFFFAOYSA-N
XLogP3.13
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3,5-dimethoxyphenyl)-1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide
CID 46335739
N-(3,4-dimethoxyphenyl)-1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide
CID 46335729
N-[[1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrol-2-yl]methyl]-2,4-dimethoxyaniline
CID 46281779
1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 46335745
2,4-dimethoxy-N-[[1-[5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrol-2-yl]methyl]aniline
CID 20926691
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2,5-dimethoxyphenyl)methyl]pyrrole-2-carboxamide
CID 22510924
N-ethyl-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20937089
N-(2-bromophenyl)-1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 20937051
azepan-1-yl-[1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrol-2-yl]methanone
CID 20937035
N-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 110860630
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096865

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide (CID 46335757) is N-(2,4-dimethoxyphenyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide is CCCN1CCN(c2nnc(-n3cccc3C(=O)Nc3ccc(OC)cc3OC)s2)CC1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide?
The InChIKey is HGWDWESFSVHOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3S/c1-4-9-26-11-13-27(14-12-26)21-24-25-22(32-21)28-10-5-6-18(28)20(29)23-17-8-7-16(30-2)15-19(17)31-3/h5-8,10,15H,4,9,11-14H2,1-3H3,(H,23,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide?
N-(2,4-dimethoxyphenyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 46335757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).