N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C11H20N4O2S — CID 80614884

IUPACN-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(C)C(C)COC)s1
InChIInChI=1S/C11H20N4O2S/c1-5-6-12-11-14-13-9(18-11)10(16)15(3)8(2)7-17-4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeySLGSGYFEXRHQHG-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.47
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80614884) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80614884
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(C)C(C)COC)s1
InChIInChI=1S/C11H20N4O2S/c1-5-6-12-11-14-13-9(18-11)10(16)15(3)8(2)7-17-4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeySLGSGYFEXRHQHG-UHFFFAOYSA-N
XLogP1.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80614884) is N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)N(C)C(C)COC)s1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SLGSGYFEXRHQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-5-6-12-11-14-13-9(18-11)10(16)15(3)8(2)7-17-4/h8H,5-7H2,1-4H3,(H,12,14).
What are the key properties of N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80614884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).