N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide

C7H8N4OS — CID 130667963

IUPACN-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@H](C)C#N
InChIInChI=1S/C7H8N4OS/c1-4(3-8)9-7(12)6-5(2)10-11-13-6/h4H,1-2H3,(H,9,12)/t4-/m1/s1
InChIKeyAIDGUDBMCNMPAZ-SCSAIBSYSA-N
MW196.23 g/mol
LogP0.49
Rot. Bonds2

About N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide

N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 130667963) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide
PubChem CID130667963
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC NameN-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@H](C)C#N
InChIInChI=1S/C7H8N4OS/c1-4(3-8)9-7(12)6-5(2)10-11-13-6/h4H,1-2H3,(H,9,12)/t4-/m1/s1
InChIKeyAIDGUDBMCNMPAZ-SCSAIBSYSA-N
XLogP0.49
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide
CID 62046686
N-cyano-4-methylthiadiazole-5-carboxamide
CID 79195320
N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 79253100
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65198611
N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 114311643
N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65193405
N-(1-cyano-2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204514
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 106183126
3-chloro-N-(1-cyanoethyl)-4-methylthiophene-2-carboxamide
CID 103401616
N-(3-bromobutyl)-4-methylthiadiazole-5-carboxamide
CID 114312469
3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65220608

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide (CID 130667963) is N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N[C@H](C)C#N.
What is the InChIKey of N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is AIDGUDBMCNMPAZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-4(3-8)9-7(12)6-5(2)10-11-13-6/h4H,1-2H3,(H,9,12)/t4-/m1/s1.
What are the key properties of N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide?
N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 196.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 130667963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).