methyl-(5-methyl-1,3-thiazol-2-yl)cyanamide

C6H7N3S — CID 100987452

IUPACmethyl-(5-methyl-1,3-thiazol-2-yl)cyanamide
SMILESCc1cnc(N(C)C#N)s1
InChIInChI=1S/C6H7N3S/c1-5-3-8-6(10-5)9(2)4-7/h3H,1-2H3
InChIKeyCJEYBTQWEBZBNK-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.37
Rot. Bonds1

About methyl-(5-methyl-1,3-thiazol-2-yl)cyanamide

methyl-(5-methyl-1,3-thiazol-2-yl)cyanamide (PubChem CID 100987452) has the molecular formula C6H7N3S and a molecular weight of 153.21 g/mol. Its IUPAC name is methyl-(5-methyl-1,3-thiazol-2-yl)cyanamide.

Molecular Properties

Compound Namemethyl-(5-methyl-1,3-thiazol-2-yl)cyanamide
PubChem CID100987452
Molecular FormulaC6H7N3S
Molecular Weight153.21 g/mol
Exact Mass153.04
IUPAC Namemethyl-(5-methyl-1,3-thiazol-2-yl)cyanamide
SMILESCc1cnc(N(C)C#N)s1
InChIInChI=1S/C6H7N3S/c1-5-3-8-6(10-5)9(2)4-7/h3H,1-2H3
InChIKeyCJEYBTQWEBZBNK-UHFFFAOYSA-N
XLogP1.37
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-(5-methyl-1,3-thiazol-2-yl)cyanamide?
The IUPAC name of methyl-(5-methyl-1,3-thiazol-2-yl)cyanamide (CID 100987452) is methyl-(5-methyl-1,3-thiazol-2-yl)cyanamide.
What is the SMILES notation for methyl-(5-methyl-1,3-thiazol-2-yl)cyanamide?
The canonical SMILES for methyl-(5-methyl-1,3-thiazol-2-yl)cyanamide is Cc1cnc(N(C)C#N)s1.
What is the InChIKey of methyl-(5-methyl-1,3-thiazol-2-yl)cyanamide?
The InChIKey is CJEYBTQWEBZBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S/c1-5-3-8-6(10-5)9(2)4-7/h3H,1-2H3.
What are the key properties of methyl-(5-methyl-1,3-thiazol-2-yl)cyanamide?
methyl-(5-methyl-1,3-thiazol-2-yl)cyanamide has a molecular weight of 153.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(5-methyl-1,3-thiazol-2-yl)cyanamide is sourced from PubChem (CID 100987452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).