N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide

C6H5N3OS — CID 138481254

IUPACN-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide
SMILESCc1nsc(NC=O)c1C#N
InChIInChI=1S/C6H5N3OS/c1-4-5(2-7)6(8-3-10)11-9-4/h3H,1H3,(H,8,10)
InChIKeyOCTMZDNMEVPXIA-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.89
Rot. Bonds2

About N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide

N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide (PubChem CID 138481254) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide.

Molecular Properties

Compound NameN-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide
PubChem CID138481254
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC NameN-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide
SMILESCc1nsc(NC=O)c1C#N
InChIInChI=1S/C6H5N3OS/c1-4-5(2-7)6(8-3-10)11-9-4/h3H,1H3,(H,8,10)
InChIKeyOCTMZDNMEVPXIA-UHFFFAOYSA-N
XLogP0.89
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide?
The IUPAC name of N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide (CID 138481254) is N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide.
What is the SMILES notation for N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide?
The canonical SMILES for N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide is Cc1nsc(NC=O)c1C#N.
What is the InChIKey of N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide?
The InChIKey is OCTMZDNMEVPXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c1-4-5(2-7)6(8-3-10)11-9-4/h3H,1H3,(H,8,10).
What are the key properties of N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide?
N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide has a molecular weight of 167.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide is sourced from PubChem (CID 138481254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).