N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide

C13H22N4OS — CID 80616794

IUPACN-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(CCC(C)C)C2CC2)s1
InChIInChI=1S/C13H22N4OS/c1-4-14-13-16-15-11(19-13)12(18)17(10-5-6-10)8-7-9(2)3/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyDNHHSTDSRAKNNR-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.62
Rot. Bonds7

About N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide

N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616794) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616794
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(CCC(C)C)C2CC2)s1
InChIInChI=1S/C13H22N4OS/c1-4-14-13-16-15-11(19-13)12(18)17(10-5-6-10)8-7-9(2)3/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyDNHHSTDSRAKNNR-UHFFFAOYSA-N
XLogP2.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide (CID 80616794) is N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)N(CCC(C)C)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DNHHSTDSRAKNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-4-14-13-16-15-11(19-13)12(18)17(10-5-6-10)8-7-9(2)3/h9-10H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide?
N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).