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

C9H16N4O2S — CID 80614969

IUPACN-(1-methoxypropan-2-yl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(C)C(C)COC)s1
InChIInChI=1S/C9H16N4O2S/c1-6(5-15-4)13(3)8(14)7-11-12-9(10-2)16-7/h6H,5H2,1-4H3,(H,10,12)
InChIKeyKSWKCXXNHSDPFX-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.69
Rot. Bonds5

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

N-(1-methoxypropan-2-yl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80614969) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80614969
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-(1-methoxypropan-2-yl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(C)C(C)COC)s1
InChIInChI=1S/C9H16N4O2S/c1-6(5-15-4)13(3)8(14)7-11-12-9(10-2)16-7/h6H,5H2,1-4H3,(H,10,12)
InChIKeyKSWKCXXNHSDPFX-UHFFFAOYSA-N
XLogP0.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.69
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-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80614969) is N-(1-methoxypropan-2-yl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)N(C)C(C)COC)s1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is KSWKCXXNHSDPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-6(5-15-4)13(3)8(14)7-11-12-9(10-2)16-7/h6H,5H2,1-4H3,(H,10,12).
What are the key properties of N-(1-methoxypropan-2-yl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(1-methoxypropan-2-yl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 244.32 g/mol, XLogP of 0.69, 5 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-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80614969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).