(4-tert-butyl-1,3-thiazol-2-yl)cyanamide

C8H11N3S — CID 27060536

IUPAC(4-tert-butyl-1,3-thiazol-2-yl)cyanamide
SMILESCC(C)(C)c1csc(NC#N)n1
InChIInChI=1S/C8H11N3S/c1-8(2,3)6-4-12-7(11-6)10-5-9/h4H,1-3H3,(H,10,11)
InChIKeyONJQYCBRUGDDKV-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.33
Rot. Bonds1

About (4-tert-butyl-1,3-thiazol-2-yl)cyanamide

(4-tert-butyl-1,3-thiazol-2-yl)cyanamide (PubChem CID 27060536) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is (4-tert-butyl-1,3-thiazol-2-yl)cyanamide.

Molecular Properties

Compound Name(4-tert-butyl-1,3-thiazol-2-yl)cyanamide
PubChem CID27060536
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name(4-tert-butyl-1,3-thiazol-2-yl)cyanamide
SMILESCC(C)(C)c1csc(NC#N)n1
InChIInChI=1S/C8H11N3S/c1-8(2,3)6-4-12-7(11-6)10-5-9/h4H,1-3H3,(H,10,11)
InChIKeyONJQYCBRUGDDKV-UHFFFAOYSA-N
XLogP2.33
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-tert-butyl-1,3-thiazol-2-yl)cyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1,3-thiazol-2-yl)cyanamide?
The IUPAC name of (4-tert-butyl-1,3-thiazol-2-yl)cyanamide (CID 27060536) is (4-tert-butyl-1,3-thiazol-2-yl)cyanamide.
What is the SMILES notation for (4-tert-butyl-1,3-thiazol-2-yl)cyanamide?
The canonical SMILES for (4-tert-butyl-1,3-thiazol-2-yl)cyanamide is CC(C)(C)c1csc(NC#N)n1.
What is the InChIKey of (4-tert-butyl-1,3-thiazol-2-yl)cyanamide?
The InChIKey is ONJQYCBRUGDDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-8(2,3)6-4-12-7(11-6)10-5-9/h4H,1-3H3,(H,10,11).
What are the key properties of (4-tert-butyl-1,3-thiazol-2-yl)cyanamide?
(4-tert-butyl-1,3-thiazol-2-yl)cyanamide has a molecular weight of 181.26 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1,3-thiazol-2-yl)cyanamide is sourced from PubChem (CID 27060536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).