N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide

C9H11N5OS2 — CID 47316960

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnc(NC(=O)c2cnns2)s1
InChIInChI=1S/C9H11N5OS2/c1-9(2,3)7-12-13-8(16-7)11-6(15)5-4-10-14-17-5/h4H,1-3H3,(H,11,13,15)
InChIKeyUWQSITWCCDTTLV-UHFFFAOYSA-N
MW269.36 g/mol
LogP1.94
Rot. Bonds2

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide (PubChem CID 47316960) has the molecular formula C9H11N5OS2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide
PubChem CID47316960
Molecular FormulaC9H11N5OS2
Molecular Weight269.36 g/mol
Exact Mass269.04
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnc(NC(=O)c2cnns2)s1
InChIInChI=1S/C9H11N5OS2/c1-9(2,3)7-12-13-8(16-7)11-6(15)5-4-10-14-17-5/h4H,1-3H3,(H,11,13,15)
InChIKeyUWQSITWCCDTTLV-UHFFFAOYSA-N
XLogP1.94
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-amino-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide
CID 79515195
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68796251
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide
CID 47316958
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide
CID 47148519
4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 55978390
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,4-dimethylpyrimidine-5-carboxamide
CID 146126277
(2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119279881
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 166405074
1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119705865
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide
CID 47374727
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 166222777
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide
CID 47316827

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide (CID 47316960) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide is CC(C)(C)c1nnc(NC(=O)c2cnns2)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide?
The InChIKey is UWQSITWCCDTTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS2/c1-9(2,3)7-12-13-8(16-7)11-6(15)5-4-10-14-17-5/h4H,1-3H3,(H,11,13,15).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide has a molecular weight of 269.36 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 47316960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).