[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide

C11H9N3S — CID 16653105

IUPAC[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide
SMILESCc1ccc(-c2csc(NC#N)n2)cc1
InChIInChI=1S/C11H9N3S/c1-8-2-4-9(5-3-8)10-6-15-11(14-10)13-7-12/h2-6H,1H3,(H,13,14)
InChIKeyNZPMFCVONYEDMC-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.01
Rot. Bonds2

About [4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide

[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide (PubChem CID 16653105) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is [4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide.

Molecular Properties

Compound Name[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide
PubChem CID16653105
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide
SMILESCc1ccc(-c2csc(NC#N)n2)cc1
InChIInChI=1S/C11H9N3S/c1-8-2-4-9(5-3-8)10-6-15-11(14-10)13-7-12/h2-6H,1H3,(H,13,14)
InChIKeyNZPMFCVONYEDMC-UHFFFAOYSA-N
XLogP3.01
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.01
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

2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethene-1,1,2-tricarbonitrile
CID 10446997
1-cyano-N,N'-bis[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimidamide
CID 177435083
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 721661
N-(2,5-dimethylpyrazol-3-yl)-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 25498040
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 61336472
4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 5333462
N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 139236117
N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 4660258

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide?
The IUPAC name of [4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide (CID 16653105) is [4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide.
What is the SMILES notation for [4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide?
The canonical SMILES for [4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide is Cc1ccc(-c2csc(NC#N)n2)cc1.
What is the InChIKey of [4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide?
The InChIKey is NZPMFCVONYEDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c1-8-2-4-9(5-3-8)10-6-15-11(14-10)13-7-12/h2-6H,1H3,(H,13,14).
What are the key properties of [4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide?
[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide has a molecular weight of 215.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide is sourced from PubChem (CID 16653105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).