N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide

C14H12F3N5OS2 — CID 71790437

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide
SMILESCc1nnc(NC(=O)CN(C)c2nc3c(C(F)(F)F)cccc3s2)s1
InChIInChI=1S/C14H12F3N5OS2/c1-7-20-21-12(24-7)18-10(23)6-22(2)13-19-11-8(14(15,16)17)4-3-5-9(11)25-13/h3-5H,6H2,1-2H3,(H,18,21,23)
InChIKeyQSJGIARUZBTWLS-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.55
Rot. Bonds4

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide (PubChem CID 71790437) has the molecular formula C14H12F3N5OS2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide
PubChem CID71790437
Molecular FormulaC14H12F3N5OS2
Molecular Weight387.41 g/mol
Exact Mass387.04
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide
SMILESCc1nnc(NC(=O)CN(C)c2nc3c(C(F)(F)F)cccc3s2)s1
InChIInChI=1S/C14H12F3N5OS2/c1-7-20-21-12(24-7)18-10(23)6-22(2)13-19-11-8(14(15,16)17)4-3-5-9(11)25-13/h3-5H,6H2,1-2H3,(H,18,21,23)
InChIKeyQSJGIARUZBTWLS-UHFFFAOYSA-N
XLogP3.55
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide (CID 71790437) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide is Cc1nnc(NC(=O)CN(C)c2nc3c(C(F)(F)F)cccc3s2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide?
The InChIKey is QSJGIARUZBTWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5OS2/c1-7-20-21-12(24-7)18-10(23)6-22(2)13-19-11-8(14(15,16)17)4-3-5-9(11)25-13/h3-5H,6H2,1-2H3,(H,18,21,23).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide has a molecular weight of 387.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide is sourced from PubChem (CID 71790437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).