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

C12H20N4OS — CID 80615923

IUPACN-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCCN(C(=O)c1nnc(NCC)s1)C1CC1
InChIInChI=1S/C12H20N4OS/c1-3-5-8-16(9-6-7-9)11(17)10-14-15-12(18-10)13-4-2/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyZRBHZBFMVKUZCP-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.37
Rot. Bonds7

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

N-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615923) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615923
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCCN(C(=O)c1nnc(NCC)s1)C1CC1
InChIInChI=1S/C12H20N4OS/c1-3-5-8-16(9-6-7-9)11(17)10-14-15-12(18-10)13-4-2/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyZRBHZBFMVKUZCP-UHFFFAOYSA-N
XLogP2.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616794
N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615458
N-(cyclopropylmethyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615771
5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616290
N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615426
5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide
CID 80616161
N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102870469
N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616910
N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617528
5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 114953077
N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616887
5-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615401

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615923) is N-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCCCN(C(=O)c1nnc(NCC)s1)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ZRBHZBFMVKUZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-5-8-16(9-6-7-9)11(17)10-14-15-12(18-10)13-4-2/h9H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).