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

C14H24N4OS — CID 80617545

IUPACN-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NC(CC)C2CCCCC2)s1
InChIInChI=1S/C14H24N4OS/c1-3-11(10-8-6-5-7-9-10)16-12(19)13-17-18-14(20-13)15-4-2/h10-11H,3-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyJLWCEKDXNQUZHG-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.06
Rot. Bonds6

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

N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617545) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617545
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NC(CC)C2CCCCC2)s1
InChIInChI=1S/C14H24N4OS/c1-3-11(10-8-6-5-7-9-10)16-12(19)13-17-18-14(20-13)15-4-2/h10-11H,3-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyJLWCEKDXNQUZHG-UHFFFAOYSA-N
XLogP3.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619130
4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 116665405
5-(ethylamino)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80615864
N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616887
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090
5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617547
5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80616601
N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615458
N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide
CID 63050141
N-(1-cyclohexylpropyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107375429
N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616910

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80617545) is N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NC(CC)C2CCCCC2)s1.
What is the InChIKey of N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JLWCEKDXNQUZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-11(10-8-6-5-7-9-10)16-12(19)13-17-18-14(20-13)15-4-2/h10-11H,3-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).