2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide

C19H19N5O3S — CID 1075766

IUPAC2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Nc1nnc(CC(=O)Nc2cccc(C)c2)s1
InChIInChI=1S/C19H19N5O3S/c1-12-6-5-7-13(10-12)20-16(25)11-17-23-24-19(28-17)22-18(26)21-14-8-3-4-9-15(14)27-2/h3-10H,11H2,1-2H3,(H,20,25)(H2,21,22,24,26)
InChIKeyVQVZRTYXAMTGPQ-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.68
Rot. Bonds6

About 2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide

2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 1075766) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide
PubChem CID1075766
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Nc1nnc(CC(=O)Nc2cccc(C)c2)s1
InChIInChI=1S/C19H19N5O3S/c1-12-6-5-7-13(10-12)20-16(25)11-17-23-24-19(28-17)22-18(26)21-14-8-3-4-9-15(14)27-2/h3-10H,11H2,1-2H3,(H,20,25)(H2,21,22,24,26)
InChIKeyVQVZRTYXAMTGPQ-UHFFFAOYSA-N
XLogP3.68
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide (CID 1075766) is 2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide is COc1ccccc1NC(=O)Nc1nnc(CC(=O)Nc2cccc(C)c2)s1.
What is the InChIKey of 2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is VQVZRTYXAMTGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-12-6-5-7-13(10-12)20-16(25)11-17-23-24-19(28-17)22-18(26)21-14-8-3-4-9-15(14)27-2/h3-10H,11H2,1-2H3,(H,20,25)(H2,21,22,24,26).
What are the key properties of 2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide?
2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 397.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 1075766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).