N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

C17H18N4OS2 — CID 3330796

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCCc1nnc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)s1
InChIInChI=1S/C17H18N4OS2/c1-4-15-20-21-17(24-15)19-14(22)9-13-16(18-11(3)23-13)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3,(H,19,21,22)
InChIKeyMBQQSPXYSRPHDH-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.02
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 3330796) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
PubChem CID3330796
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCCc1nnc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)s1
InChIInChI=1S/C17H18N4OS2/c1-4-15-20-21-17(24-15)19-14(22)9-13-16(18-11(3)23-13)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3,(H,19,21,22)
InChIKeyMBQQSPXYSRPHDH-UHFFFAOYSA-N
XLogP4.02
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (CID 3330796) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is CCc1nnc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is MBQQSPXYSRPHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-4-15-20-21-17(24-15)19-14(22)9-13-16(18-11(3)23-13)12-7-5-10(2)6-8-12/h5-8H,4,9H2,1-3H3,(H,19,21,22).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 3330796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).