7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine

C19H17N3O2S2 — CID 20805907

IUPAC7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine
SMILESCOc1ccc(-c2cc3nccn3c(SCc3cccs3)n2)cc1OC
InChIInChI=1S/C19H17N3O2S2/c1-23-16-6-5-13(10-17(16)24-2)15-11-18-20-7-8-22(18)19(21-15)26-12-14-4-3-9-25-14/h3-11H,12H2,1-2H3
InChIKeyORFYTEKGMFEHKC-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.77
Rot. Bonds6

About 7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine

7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine (PubChem CID 20805907) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine
PubChem CID20805907
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC Name7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine
SMILESCOc1ccc(-c2cc3nccn3c(SCc3cccs3)n2)cc1OC
InChIInChI=1S/C19H17N3O2S2/c1-23-16-6-5-13(10-17(16)24-2)15-11-18-20-7-8-22(18)19(21-15)26-12-14-4-3-9-25-14/h3-11H,12H2,1-2H3
InChIKeyORFYTEKGMFEHKC-UHFFFAOYSA-N
XLogP4.77
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,9-Dimethoxy-1-(1,3-Thiazol-5-Yl)-5,6-Dihydroimidazo[5,1-A]isoquinoline
CID 50903255
N-(2-aminoethyl)-4-(2-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093435
N-(2-aminoethyl)-4-(3-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093436
N-(2-aminoethyl)-4-(4-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093437
7-[3-Methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine
CID 146025713
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 2401215
1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 4797534
2-[(E)-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 11485823
3-[[3-[3-(3-Methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1,3-thiazolidine
CID 46877577
5-(8,9-Dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole
CID 50901948
4-(8,9-Dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole
CID 50901954
5-(8,9-Dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole
CID 50902289

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine (CID 20805907) is 7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine is COc1ccc(-c2cc3nccn3c(SCc3cccs3)n2)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine?
The InChIKey is ORFYTEKGMFEHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-23-16-6-5-13(10-17(16)24-2)15-11-18-20-7-8-22(18)19(21-15)26-12-14-4-3-9-25-14/h3-11H,12H2,1-2H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine?
7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine has a molecular weight of 383.50 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-5-(thiophen-2-ylmethylsulfanyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 20805907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).