5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide

C11H20N4OS — CID 80616161

IUPAC5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN(C(=O)c1nnc(NCC)s1)C(C)C
InChIInChI=1S/C11H20N4OS/c1-5-7-15(8(3)4)10(16)9-13-14-11(17-9)12-6-2/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyWLXCGBZQTUHQEY-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.23
Rot. Bonds6

About 5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616161) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616161
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCN(C(=O)c1nnc(NCC)s1)C(C)C
InChIInChI=1S/C11H20N4OS/c1-5-7-15(8(3)4)10(16)9-13-14-11(17-9)12-6-2/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyWLXCGBZQTUHQEY-UHFFFAOYSA-N
XLogP2.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide (CID 80616161) is 5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide is CCCN(C(=O)c1nnc(NCC)s1)C(C)C.
What is the InChIKey of 5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WLXCGBZQTUHQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-5-7-15(8(3)4)10(16)9-13-14-11(17-9)12-6-2/h8H,5-7H2,1-4H3,(H,12,14).
What are the key properties of 5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).