2-[2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide

C26H27ClN4O5S2 — CID 46869917

IUPAC2-[2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide
SMILESCOCCOc1cc2ncnc(Sc3nc(C)c(CC(=O)Nc4cccc(Cl)c4)s3)c2cc1OCCOC
InChIInChI=1S/C26H27ClN4O5S2/c1-16-23(14-24(32)31-18-6-4-5-17(27)11-18)37-26(30-16)38-25-19-12-21(35-9-7-33-2)22(36-10-8-34-3)13-20(19)28-15-29-25/h4-6,11-13,15H,7-10,14H2,1-3H3,(H,31,32)
InChIKeyAWCGINVSPKCNCW-UHFFFAOYSA-N
MW575.11 g/mol
LogP5.43
Rot. Bonds13

About 2-[2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide

2-[2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide (PubChem CID 46869917) has the molecular formula C26H27ClN4O5S2 and a molecular weight of 575.11 g/mol. Its IUPAC name is 2-[2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide
PubChem CID46869917
Molecular FormulaC26H27ClN4O5S2
Molecular Weight575.11 g/mol
Exact Mass574.11
IUPAC Name2-[2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide
SMILESCOCCOc1cc2ncnc(Sc3nc(C)c(CC(=O)Nc4cccc(Cl)c4)s3)c2cc1OCCOC
InChIInChI=1S/C26H27ClN4O5S2/c1-16-23(14-24(32)31-18-6-4-5-17(27)11-18)37-26(30-16)38-25-19-12-21(35-9-7-33-2)22(36-10-8-34-3)13-20(19)28-15-29-25/h4-6,11-13,15H,7-10,14H2,1-3H3,(H,31,32)
InChIKeyAWCGINVSPKCNCW-UHFFFAOYSA-N
XLogP5.43
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.11
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide (CID 46869917) is 2-[2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide is COCCOc1cc2ncnc(Sc3nc(C)c(CC(=O)Nc4cccc(Cl)c4)s3)c2cc1OCCOC.
What is the InChIKey of 2-[2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide?
The InChIKey is AWCGINVSPKCNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O5S2/c1-16-23(14-24(32)31-18-6-4-5-17(27)11-18)37-26(30-16)38-25-19-12-21(35-9-7-33-2)22(36-10-8-34-3)13-20(19)28-15-29-25/h4-6,11-13,15H,7-10,14H2,1-3H3,(H,31,32).
What are the key properties of 2-[2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide?
2-[2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide has a molecular weight of 575.11 g/mol, XLogP of 5.43, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 46869917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).