N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide

C12H12N4O3S2 — CID 2630296

IUPACN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C12H12N4O3S2/c1-19-8-5-3-2-4-7(8)10(18)14-9(17)6-20-12-16-15-11(13)21-12/h2-5H,6H2,1H3,(H2,13,15)(H,14,17,18)
InChIKeyZJIMBBPZWKZJLX-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.18
Rot. Bonds5

About N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide

N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide (PubChem CID 2630296) has the molecular formula C12H12N4O3S2 and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide
PubChem CID2630296
Molecular FormulaC12H12N4O3S2
Molecular Weight324.39 g/mol
Exact Mass324.04
IUPAC NameN-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(=O)CSc1nnc(N)s1
InChIInChI=1S/C12H12N4O3S2/c1-19-8-5-3-2-4-7(8)10(18)14-9(17)6-20-12-16-15-11(13)21-12/h2-5H,6H2,1H3,(H2,13,15)(H,14,17,18)
InChIKeyZJIMBBPZWKZJLX-UHFFFAOYSA-N
XLogP1.18
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Bas 07005712
CID 656143
2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide
CID 8302771
2-methoxy-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936801
2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1500051
N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 8481799
2-methoxy-N-{5-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
CID 24892667
2-methoxy-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide
CID 2507045
2-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzamide
CID 8301003
2-ethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 646611
2-ethoxy-N-[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 7096128
2-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide
CID 2628255
2-ethoxy-N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 7096103

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide (CID 2630296) is N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(=O)CSc1nnc(N)s1.
What is the InChIKey of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide?
The InChIKey is ZJIMBBPZWKZJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S2/c1-19-8-5-3-2-4-7(8)10(18)14-9(17)6-20-12-16-15-11(13)21-12/h2-5H,6H2,1H3,(H2,13,15)(H,14,17,18).
What are the key properties of N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide?
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide has a molecular weight of 324.39 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide is sourced from PubChem (CID 2630296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).