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

C10H18N4O2S — CID 80614968

IUPAC5-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(C)C(C)COC)s1
InChIInChI=1S/C10H18N4O2S/c1-5-11-10-13-12-8(17-10)9(15)14(3)7(2)6-16-4/h7H,5-6H2,1-4H3,(H,11,13)
InChIKeyAXQJJZYESKXWRA-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.08
Rot. Bonds6

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

5-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80614968) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80614968
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name5-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(C)C(C)COC)s1
InChIInChI=1S/C10H18N4O2S/c1-5-11-10-13-12-8(17-10)9(15)14(3)7(2)6-16-4/h7H,5-6H2,1-4H3,(H,11,13)
InChIKeyAXQJJZYESKXWRA-UHFFFAOYSA-N
XLogP1.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 80614968) is 5-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)N(C)C(C)COC)s1.
What is the InChIKey of 5-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is AXQJJZYESKXWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-5-11-10-13-12-8(17-10)9(15)14(3)7(2)6-16-4/h7H,5-6H2,1-4H3,(H,11,13).
What are the key properties of 5-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80614968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).