N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide

C15H18N4O3S — CID 890150

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide
SMILESCOCc1nnc(NC(=O)c2cccc(NC(=O)C(C)C)c2)s1
InChIInChI=1S/C15H18N4O3S/c1-9(2)13(20)16-11-6-4-5-10(7-11)14(21)17-15-19-18-12(23-15)8-22-3/h4-7,9H,8H2,1-3H3,(H,16,20)(H,17,19,21)
InChIKeyBXACIAZRKHNILL-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.53
Rot. Bonds6

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide (PubChem CID 890150) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide
PubChem CID890150
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide
SMILESCOCc1nnc(NC(=O)c2cccc(NC(=O)C(C)C)c2)s1
InChIInChI=1S/C15H18N4O3S/c1-9(2)13(20)16-11-6-4-5-10(7-11)14(21)17-15-19-18-12(23-15)8-22-3/h4-7,9H,8H2,1-3H3,(H,16,20)(H,17,19,21)
InChIKeyBXACIAZRKHNILL-UHFFFAOYSA-N
XLogP2.53
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide (CID 890150) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide is COCc1nnc(NC(=O)c2cccc(NC(=O)C(C)C)c2)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide?
The InChIKey is BXACIAZRKHNILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9(2)13(20)16-11-6-4-5-10(7-11)14(21)17-15-19-18-12(23-15)8-22-3/h4-7,9H,8H2,1-3H3,(H,16,20)(H,17,19,21).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide has a molecular weight of 334.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 890150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).