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

C13H13N5OS — CID 80616254

IUPACN-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(C)c2ccc(C#N)cc2)s1
InChIInChI=1S/C13H13N5OS/c1-3-15-13-17-16-11(20-13)12(19)18(2)10-6-4-9(8-14)5-7-10/h4-7H,3H2,1-2H3,(H,15,17)
InChIKeyREEQWUXVEACYIP-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.12
Rot. Bonds4

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

N-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616254) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616254
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC NameN-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(C)c2ccc(C#N)cc2)s1
InChIInChI=1S/C13H13N5OS/c1-3-15-13-17-16-11(20-13)12(19)18(2)10-6-4-9(8-14)5-7-10/h4-7H,3H2,1-2H3,(H,15,17)
InChIKeyREEQWUXVEACYIP-UHFFFAOYSA-N
XLogP2.12
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide
CID 106937223
N-(4-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618566
N-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624713
N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615426
N-(cyclopropylmethyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615771
N-[(4-bromophenyl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616317
N-(4-cyanophenyl)-2-(ethylamino)-N,2-dimethylpropanamide
CID 62982145
N-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615509
N-[(2-bromophenyl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616942
N-[(5-chlorothiophen-2-yl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615833
N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide
CID 55141574
N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615458

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 80616254) is N-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)N(C)c2ccc(C#N)cc2)s1.
What is the InChIKey of N-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is REEQWUXVEACYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-3-15-13-17-16-11(20-13)12(19)18(2)10-6-4-9(8-14)5-7-10/h4-7H,3H2,1-2H3,(H,15,17).
What are the key properties of N-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
N-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 287.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).