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

C12H10ClN5OS — CID 80624713

IUPACN-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2cc(C#N)ccc2Cl)s1
InChIInChI=1S/C12H10ClN5OS/c1-2-15-12-18-17-11(20-12)10(19)16-9-5-7(6-14)3-4-8(9)13/h3-5H,2H2,1H3,(H,15,18)(H,16,19)
InChIKeyXQFGZBDYGRCCTJ-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.75
Rot. Bonds4

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

N-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80624713) has the molecular formula C12H10ClN5OS and a molecular weight of 307.77 g/mol. Its IUPAC name is N-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80624713
Molecular FormulaC12H10ClN5OS
Molecular Weight307.77 g/mol
Exact Mass307.03
IUPAC NameN-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2cc(C#N)ccc2Cl)s1
InChIInChI=1S/C12H10ClN5OS/c1-2-15-12-18-17-11(20-12)10(19)16-9-5-7(6-14)3-4-8(9)13/h3-5H,2H2,1H3,(H,15,18)(H,16,19)
InChIKeyXQFGZBDYGRCCTJ-UHFFFAOYSA-N
XLogP2.75
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-bromo-2-chlorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617307
N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641827
N-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 83079441
5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615969
5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615974
N-(2,5-difluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617762
N-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616254
N-[4-(cyanomethyl)phenyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616644
N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618436
N-(3,5-difluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616145
N-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615093
N-(2-bromo-5-methoxyphenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624690

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80624713) is N-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)Nc2cc(C#N)ccc2Cl)s1.
What is the InChIKey of N-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is XQFGZBDYGRCCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5OS/c1-2-15-12-18-17-11(20-12)10(19)16-9-5-7(6-14)3-4-8(9)13/h3-5H,2H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 307.77 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-cyanophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80624713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).