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

C10H10ClN5OS — CID 80615093

IUPACN-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2ccc(Cl)cn2)s1
InChIInChI=1S/C10H10ClN5OS/c1-2-12-10-16-15-9(18-10)8(17)14-7-4-3-6(11)5-13-7/h3-5H,2H2,1H3,(H,12,16)(H,13,14,17)
InChIKeySSTGYKBNUCWSNX-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.27
Rot. Bonds4

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

N-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615093) has the molecular formula C10H10ClN5OS and a molecular weight of 283.74 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615093
Molecular FormulaC10H10ClN5OS
Molecular Weight283.74 g/mol
Exact Mass283.03
IUPAC NameN-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2ccc(Cl)cn2)s1
InChIInChI=1S/C10H10ClN5OS/c1-2-12-10-16-15-9(18-10)8(17)14-7-4-3-6(11)5-13-7/h3-5H,2H2,1H3,(H,12,16)(H,13,14,17)
InChIKeySSTGYKBNUCWSNX-UHFFFAOYSA-N
XLogP2.27
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 80615301
N-(5-chloro-2-pyridinyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640067
N-(6-chloro-1,3-benzothiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619477
N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615212
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
5-(methylamino)-N-(5-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618119
N-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 83079441
N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide
CID 63187369
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-(5-chloro-2-pyridinyl)-2-(ethylamino)-5-methylbenzamide
CID 62508806

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615093) is N-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)Nc2ccc(Cl)cn2)s1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SSTGYKBNUCWSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5OS/c1-2-12-10-16-15-9(18-10)8(17)14-7-4-3-6(11)5-13-7/h3-5H,2H2,1H3,(H,12,16)(H,13,14,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 283.74 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).