N-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide

C19H18N4O2S — CID 24792714

IUPACN-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(N(CC(=O)NCc2ccccc2)C(=O)c2csnn2)cc1
InChIInChI=1S/C19H18N4O2S/c1-14-7-9-16(10-8-14)23(19(25)17-13-26-22-21-17)12-18(24)20-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,24)
InChIKeyHXMUNIBCTUFUHZ-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.81
Rot. Bonds6

About N-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide

N-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 24792714) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
PubChem CID24792714
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1ccc(N(CC(=O)NCc2ccccc2)C(=O)c2csnn2)cc1
InChIInChI=1S/C19H18N4O2S/c1-14-7-9-16(10-8-14)23(19(25)17-13-26-22-21-17)12-18(24)20-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,24)
InChIKeyHXMUNIBCTUFUHZ-UHFFFAOYSA-N
XLogP2.81
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide (CID 24792714) is N-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide is Cc1ccc(N(CC(=O)NCc2ccccc2)C(=O)c2csnn2)cc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is HXMUNIBCTUFUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-14-7-9-16(10-8-14)23(19(25)17-13-26-22-21-17)12-18(24)20-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,24).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide?
N-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 24792714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).