N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

C8H8BrN5OS2 — CID 80615212

IUPACN-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2ncc(Br)s2)s1
InChIInChI=1S/C8H8BrN5OS2/c1-2-10-8-14-13-6(17-8)5(15)12-7-11-3-4(9)16-7/h3H,2H2,1H3,(H,10,14)(H,11,12,15)
InChIKeyUSHHOPWZESDEOK-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.44
Rot. Bonds4

About N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615212) has the molecular formula C8H8BrN5OS2 and a molecular weight of 334.22 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615212
Molecular FormulaC8H8BrN5OS2
Molecular Weight334.22 g/mol
Exact Mass332.94
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2ncc(Br)s2)s1
InChIInChI=1S/C8H8BrN5OS2/c1-2-10-8-14-13-6(17-8)5(15)12-7-11-3-4(9)16-7/h3H,2H2,1H3,(H,10,14)(H,11,12,15)
InChIKeyUSHHOPWZESDEOK-UHFFFAOYSA-N
XLogP2.44
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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)-1,3,4-thiadiazole-2-carboxamide
CID 80615093
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615669
N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828
N-(3,5-difluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616145
N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62179840
5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615974
5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615969
N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62179139
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-(5-bromo-1,3-thiazol-2-yl)butanamide
CID 22170788

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615212) is N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)Nc2ncc(Br)s2)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is USHHOPWZESDEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5OS2/c1-2-10-8-14-13-6(17-8)5(15)12-7-11-3-4(9)16-7/h3H,2H2,1H3,(H,10,14)(H,11,12,15).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).