N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

C20H16N4O3S2 — CID 135516083

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4c(=O)[nH]3)n2)cc1
InChIInChI=1S/C20H16N4O3S2/c1-27-13-8-6-12(7-9-13)16-10-28-19(22-16)23-17(25)11-29-20-21-15-5-3-2-4-14(15)18(26)24-20/h2-10H,11H2,1H3,(H,21,24,26)(H,22,23,25)
InChIKeyOLNFRPLHBZANEN-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.79
Rot. Bonds6

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (PubChem CID 135516083) has the molecular formula C20H16N4O3S2 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
PubChem CID135516083
Molecular FormulaC20H16N4O3S2
Molecular Weight424.51 g/mol
Exact Mass424.07
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4c(=O)[nH]3)n2)cc1
InChIInChI=1S/C20H16N4O3S2/c1-27-13-8-6-12(7-9-13)16-10-28-19(22-16)23-17(25)11-29-20-21-15-5-3-2-4-14(15)18(26)24-20/h2-10H,11H2,1H3,(H,21,24,26)(H,22,23,25)
InChIKeyOLNFRPLHBZANEN-UHFFFAOYSA-N
XLogP3.79
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (CID 135516083) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is COc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4c(=O)[nH]3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is OLNFRPLHBZANEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S2/c1-27-13-8-6-12(7-9-13)16-10-28-19(22-16)23-17(25)11-29-20-21-15-5-3-2-4-14(15)18(26)24-20/h2-10H,11H2,1H3,(H,21,24,26)(H,22,23,25).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide has a molecular weight of 424.51 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135516083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).