N-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C12H22N4OS — CID 114004403

IUPACN-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCCC(CC)CNC(=O)c1nnc(NC)s1
InChIInChI=1S/C12H22N4OS/c1-4-6-7-9(5-2)8-14-10(17)11-15-16-12(13-3)18-11/h9H,4-8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyIORWUVQDJWRWQG-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.53
Rot. Bonds8

About N-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 114004403) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID114004403
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC NameN-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCCC(CC)CNC(=O)c1nnc(NC)s1
InChIInChI=1S/C12H22N4OS/c1-4-6-7-9(5-2)8-14-10(17)11-15-16-12(13-3)18-11/h9H,4-8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyIORWUVQDJWRWQG-UHFFFAOYSA-N
XLogP2.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102700572
5-(methylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618607
N-[2-(ethylamino)-2-oxoethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615644
5-(methylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617281
N-[(2R)-2-ethylhexyl]-1H-1,2,4-triazole-5-carboxamide
CID 2174349
5-bromo-N-(2-ethylhexyl)-2-(methylamino)pyridine-3-carboxamide
CID 107818051
N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615073
2-N,6-N-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617547
N-(2-ethylhexyl)-2-(methylamino)benzamide
CID 61377678
N-(4-methylpentyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616901
N-(2-ethylhexyl)-6-(propylamino)pyridazine-3-carboxamide
CID 107818061

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 114004403) is N-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CCCCC(CC)CNC(=O)c1nnc(NC)s1.
What is the InChIKey of N-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is IORWUVQDJWRWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-4-6-7-9(5-2)8-14-10(17)11-15-16-12(13-3)18-11/h9H,4-8H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 270.40 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 114004403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).