N-(2,4-dimethoxyphenyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide

C17H17N3O3S — CID 39342546

IUPACN-(2,4-dimethoxyphenyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2cnc(-n3cccc3)s2)c(OC)c1
InChIInChI=1S/C17H17N3O3S/c1-22-12-5-6-14(15(9-12)23-2)19-16(21)10-13-11-18-17(24-13)20-7-3-4-8-20/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyPAQJACKXZGWLGQ-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.13
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 39342546) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
PubChem CID39342546
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2cnc(-n3cccc3)s2)c(OC)c1
InChIInChI=1S/C17H17N3O3S/c1-22-12-5-6-14(15(9-12)23-2)19-16(21)10-13-11-18-17(24-13)20-7-3-4-8-20/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyPAQJACKXZGWLGQ-UHFFFAOYSA-N
XLogP3.13
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679711
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
N-(2,4-dimethoxyphenyl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680145
N-(2,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 9355806
N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide
CID 24536376
N-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7930919
2-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 110771854
N-(2,4-dimethoxyphenyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7267553
N-(2,4-dimethoxyphenyl)-3-(ethylamino)butanamide
CID 60663376
2-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 17423898
N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 110689577
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide (CID 39342546) is N-(2,4-dimethoxyphenyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide is COc1ccc(NC(=O)Cc2cnc(-n3cccc3)s2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is PAQJACKXZGWLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-22-12-5-6-14(15(9-12)23-2)19-16(21)10-13-11-18-17(24-13)20-7-3-4-8-20/h3-9,11H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 39342546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).