N-(2-methoxyphenyl)-2-[2-(phenylcarbamothioylamino)-1,3-thiazol-4-yl]acetamide

C19H18N4O2S2 — CID 1169035

IUPACN-(2-methoxyphenyl)-2-[2-(phenylcarbamothioylamino)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cc1csc(NC(=S)Nc2ccccc2)n1
InChIInChI=1S/C19H18N4O2S2/c1-25-16-10-6-5-9-15(16)22-17(24)11-14-12-27-19(21-14)23-18(26)20-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,22,24)(H2,20,21,23,26)
InChIKeyMTPBIYCXUSZVHH-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.14
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[2-(phenylcarbamothioylamino)-1,3-thiazol-4-yl]acetamide

N-(2-methoxyphenyl)-2-[2-(phenylcarbamothioylamino)-1,3-thiazol-4-yl]acetamide (PubChem CID 1169035) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[2-(phenylcarbamothioylamino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[2-(phenylcarbamothioylamino)-1,3-thiazol-4-yl]acetamide
PubChem CID1169035
Molecular FormulaC19H18N4O2S2
Molecular Weight398.51 g/mol
Exact Mass398.09
IUPAC NameN-(2-methoxyphenyl)-2-[2-(phenylcarbamothioylamino)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cc1csc(NC(=S)Nc2ccccc2)n1
InChIInChI=1S/C19H18N4O2S2/c1-25-16-10-6-5-9-15(16)22-17(24)11-14-12-27-19(21-14)23-18(26)20-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,22,24)(H2,20,21,23,26)
InChIKeyMTPBIYCXUSZVHH-UHFFFAOYSA-N
XLogP4.14
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[2-(phenylcarbamothioylamino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[2-(phenylcarbamothioylamino)-1,3-thiazol-4-yl]acetamide (CID 1169035) is N-(2-methoxyphenyl)-2-[2-(phenylcarbamothioylamino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[2-(phenylcarbamothioylamino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[2-(phenylcarbamothioylamino)-1,3-thiazol-4-yl]acetamide is COc1ccccc1NC(=O)Cc1csc(NC(=S)Nc2ccccc2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[2-(phenylcarbamothioylamino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is MTPBIYCXUSZVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S2/c1-25-16-10-6-5-9-15(16)22-17(24)11-14-12-27-19(21-14)23-18(26)20-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,22,24)(H2,20,21,23,26).
What are the key properties of N-(2-methoxyphenyl)-2-[2-(phenylcarbamothioylamino)-1,3-thiazol-4-yl]acetamide?
N-(2-methoxyphenyl)-2-[2-(phenylcarbamothioylamino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[2-(phenylcarbamothioylamino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 1169035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).