4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide

C30H31N5O5S2 — CID 146232216

IUPAC4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide
SMILESCOc1cc(OCc2nc(-c3ccc(C(=O)N(C)C)cc3)sc2C(C)C)c2cc(-c3cn4c(n3)SC(OC)N4)oc2c1
InChIInChI=1S/C30H31N5O5S2/c1-16(2)26-22(31-27(41-26)17-7-9-18(10-8-17)28(36)34(3)4)15-39-23-11-19(37-5)12-24-20(23)13-25(40-24)21-14-35-29(32-21)42-30(33-35)38-6/h7-14,16,30,33H,15H2,1-6H3
InChIKeyHQMMPLNDVKXCQF-UHFFFAOYSA-N
MW605.74 g/mol
LogP6.41
Rot. Bonds9

About 4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide

4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide (PubChem CID 146232216) has the molecular formula C30H31N5O5S2 and a molecular weight of 605.74 g/mol. Its IUPAC name is 4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide
PubChem CID146232216
Molecular FormulaC30H31N5O5S2
Molecular Weight605.74 g/mol
Exact Mass605.18
IUPAC Name4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide
SMILESCOc1cc(OCc2nc(-c3ccc(C(=O)N(C)C)cc3)sc2C(C)C)c2cc(-c3cn4c(n3)SC(OC)N4)oc2c1
InChIInChI=1S/C30H31N5O5S2/c1-16(2)26-22(31-27(41-26)17-7-9-18(10-8-17)28(36)34(3)4)15-39-23-11-19(37-5)12-24-20(23)13-25(40-24)21-14-35-29(32-21)42-30(33-35)38-6/h7-14,16,30,33H,15H2,1-6H3
InChIKeyHQMMPLNDVKXCQF-UHFFFAOYSA-N
XLogP6.41
TPSA103.88 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500605.74
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide (CID 146232216) is 4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide is COc1cc(OCc2nc(-c3ccc(C(=O)N(C)C)cc3)sc2C(C)C)c2cc(-c3cn4c(n3)SC(OC)N4)oc2c1.
What is the InChIKey of 4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide?
The InChIKey is HQMMPLNDVKXCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O5S2/c1-16(2)26-22(31-27(41-26)17-7-9-18(10-8-17)28(36)34(3)4)15-39-23-11-19(37-5)12-24-20(23)13-25(40-24)21-14-35-29(32-21)42-30(33-35)38-6/h7-14,16,30,33H,15H2,1-6H3.
What are the key properties of 4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide?
4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide has a molecular weight of 605.74 g/mol, XLogP of 6.41, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 146232216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).