N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide

C14H14N4O2S — CID 65204415

IUPACN-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)Nc1ccccc1OCC#N
InChIInChI=1S/C14H14N4O2S/c1-9(2)12-13(21-18-17-12)14(19)16-10-5-3-4-6-11(10)20-8-7-15/h3-6,9H,8H2,1-2H3,(H,16,19)
InChIKeyBCTPHLNIJCEEFM-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.82
Rot. Bonds5

About N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide

N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204415) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204415
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)Nc1ccccc1OCC#N
InChIInChI=1S/C14H14N4O2S/c1-9(2)12-13(21-18-17-12)14(19)16-10-5-3-4-6-11(10)20-8-7-15/h3-6,9H,8H2,1-2H3,(H,16,19)
InChIKeyBCTPHLNIJCEEFM-UHFFFAOYSA-N
XLogP2.82
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cyanomethoxy)phenyl]thiadiazole-5-carboxamide
CID 65215145
N-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 107468084
N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide
CID 7293420
N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide
CID 103513721
N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830087
5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 62958811
3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
CID 43369330
N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide
CID 43369387
N-[2-(cyanomethoxy)phenyl]-3,4,4-trimethylpentanamide
CID 63832381
N-[2-(cyanomethoxy)phenyl]furan-3-carboxamide
CID 43369380
N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 81290411
1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea
CID 43437768

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204415) is N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)Nc1ccccc1OCC#N.
What is the InChIKey of N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is BCTPHLNIJCEEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-9(2)12-13(21-18-17-12)14(19)16-10-5-3-4-6-11(10)20-8-7-15/h3-6,9H,8H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide?
N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).