2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-prop-2-enylacetamide

C10H16N4OS — CID 91837650

IUPAC2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C)Cc1snnc1C
InChIInChI=1S/C10H16N4OS/c1-4-5-11-10(15)7-14(3)6-9-8(2)12-13-16-9/h4H,1,5-7H2,2-3H3,(H,11,15)
InChIKeyAYCZBOBZHDRUQR-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.58
Rot. Bonds6

About 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-prop-2-enylacetamide

2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-prop-2-enylacetamide (PubChem CID 91837650) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-prop-2-enylacetamide
PubChem CID91837650
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C)Cc1snnc1C
InChIInChI=1S/C10H16N4OS/c1-4-5-11-10(15)7-14(3)6-9-8(2)12-13-16-9/h4H,1,5-7H2,2-3H3,(H,11,15)
InChIKeyAYCZBOBZHDRUQR-UHFFFAOYSA-N
XLogP0.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-prop-2-enylacetamide (CID 91837650) is 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(C)Cc1snnc1C.
What is the InChIKey of 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-prop-2-enylacetamide?
The InChIKey is AYCZBOBZHDRUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-4-5-11-10(15)7-14(3)6-9-8(2)12-13-16-9/h4H,1,5-7H2,2-3H3,(H,11,15).
What are the key properties of 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-prop-2-enylacetamide?
2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-prop-2-enylacetamide has a molecular weight of 240.33 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-prop-2-enylacetamide is sourced from PubChem (CID 91837650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).