N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide

C13H15N3O2S2 — CID 649650

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCOCc1nnc(NC(=O)CSc2ccc(C)cc2)s1
InChIInChI=1S/C13H15N3O2S2/c1-9-3-5-10(6-4-9)19-8-11(17)14-13-16-15-12(20-13)7-18-2/h3-6H,7-8H2,1-2H3,(H,14,16,17)
InChIKeyULIGLIHRSYBAPR-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.72
Rot. Bonds6

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

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 649650) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID649650
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCOCc1nnc(NC(=O)CSc2ccc(C)cc2)s1
InChIInChI=1S/C13H15N3O2S2/c1-9-3-5-10(6-4-9)19-8-11(17)14-13-16-15-12(20-13)7-18-2/h3-6H,7-8H2,1-2H3,(H,14,16,17)
InChIKeyULIGLIHRSYBAPR-UHFFFAOYSA-N
XLogP2.72
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 1091332
CID 1091332
CID 3163429
CID 3163429
CID 700480
CID 700480
CID 651712
CID 651712
CID 652910
CID 652910
CID 742486
CID 742486
CID 879486
CID 879486
CID 1094109
CID 1094109
CID 1251582
CID 1251582
CID 1401110
CID 1401110
CID 2227153
CID 2227153
CID 3163425
CID 3163425

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide (CID 649650) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide is COCc1nnc(NC(=O)CSc2ccc(C)cc2)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is ULIGLIHRSYBAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-9-3-5-10(6-4-9)19-8-11(17)14-13-16-15-12(20-13)7-18-2/h3-6H,7-8H2,1-2H3,(H,14,16,17).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 309.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 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]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 649650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).