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

C12H14N4OS — CID 80615974

IUPAC5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2ccccc2C)s1
InChIInChI=1S/C12H14N4OS/c1-3-13-12-16-15-11(18-12)10(17)14-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyRZBBAUWEXKGAQP-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.53
Rot. Bonds4

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

5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615974) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615974
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2ccccc2C)s1
InChIInChI=1S/C12H14N4OS/c1-3-13-12-16-15-11(18-12)10(17)14-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyRZBBAUWEXKGAQP-UHFFFAOYSA-N
XLogP2.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615969
5-(ethylamino)-N-(4-methoxy-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616813
N-(2-bromophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615873
N-(2,5-difluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617762
N-(5-bromo-2-chlorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617307
N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618436
N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615708
N-(2-bromo-5-methoxyphenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624690
N-(3,5-difluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616145
N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615212
N-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624713
N-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615093

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 80615974) is 5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)Nc2ccccc2C)s1.
What is the InChIKey of 5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RZBBAUWEXKGAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-3-13-12-16-15-11(18-12)10(17)14-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of 5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).