(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'}

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Related Compounds

N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine
CID 63874771
(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
4-tert-butyl-N-(5-tert-butyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine
CID 3542449
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79287156
3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 54960598
2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine
CID 114049823
N-(benzylideneamino)-4-tert-butyl-1,3-thiazol-2-amine
CID 2880844
6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyrazine-2-carboxamide
CID 170511217
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide
CID 113323542
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675

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).