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

C12H20N4OS — CID 80615896

IUPACN-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCC2CCCCC2)s1
InChIInChI=1S/C12H20N4OS/c1-2-13-12-16-15-11(18-12)10(17)14-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyRZBJYQKWICCBCE-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.28
Rot. Bonds5

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

N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615896) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615896
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCC2CCCCC2)s1
InChIInChI=1S/C12H20N4OS/c1-2-13-12-16-15-11(18-12)10(17)14-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyRZBJYQKWICCBCE-UHFFFAOYSA-N
XLogP2.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090
5-(ethylamino)-N-(thiolan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 107298229
N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619130
5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618770
N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616887
N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616910
N-(cyclohexylmethyl)-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide
CID 23452463
N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617545
N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615458
5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624606
N-(cyclopropylmethyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615771
5-(ethylamino)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 114101851

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615896) is N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCC2CCCCC2)s1.
What is the InChIKey of N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RZBJYQKWICCBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-13-12-16-15-11(18-12)10(17)14-8-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).