N'-[4-chloro-5-(2,2-dicyanoethenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide

C10H8ClN5S — CID 3349214

IUPACN'-[4-chloro-5-(2,2-dicyanoethenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc(Cl)c(C=C(C#N)C#N)s1
InChIInChI=1S/C10H8ClN5S/c1-16(2)6-14-10-15-9(11)8(17-10)3-7(4-12)5-13/h3,6H,1-2H3
InChIKeyCKNOVQNJNBZDMB-UHFFFAOYSA-N
MW265.73 g/mol
LogP2.45
Rot. Bonds3

About N'-[4-chloro-5-(2,2-dicyanoethenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide

N'-[4-chloro-5-(2,2-dicyanoethenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 3349214) has the molecular formula C10H8ClN5S and a molecular weight of 265.73 g/mol. Its IUPAC name is N'-[4-chloro-5-(2,2-dicyanoethenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-chloro-5-(2,2-dicyanoethenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
PubChem CID3349214
Molecular FormulaC10H8ClN5S
Molecular Weight265.73 g/mol
Exact Mass265.02
IUPAC NameN'-[4-chloro-5-(2,2-dicyanoethenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc(Cl)c(C=C(C#N)C#N)s1
InChIInChI=1S/C10H8ClN5S/c1-16(2)6-14-10-15-9(11)8(17-10)3-7(4-12)5-13/h3,6H,1-2H3
InChIKeyCKNOVQNJNBZDMB-UHFFFAOYSA-N
XLogP2.45
TPSA76.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.73
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-5-(2,2-dicyanoethenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-chloro-5-(2,2-dicyanoethenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide (CID 3349214) is N'-[4-chloro-5-(2,2-dicyanoethenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-chloro-5-(2,2-dicyanoethenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-chloro-5-(2,2-dicyanoethenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1nc(Cl)c(C=C(C#N)C#N)s1.
What is the InChIKey of N'-[4-chloro-5-(2,2-dicyanoethenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is CKNOVQNJNBZDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5S/c1-16(2)6-14-10-15-9(11)8(17-10)3-7(4-12)5-13/h3,6H,1-2H3.
What are the key properties of N'-[4-chloro-5-(2,2-dicyanoethenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide?
N'-[4-chloro-5-(2,2-dicyanoethenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 265.73 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-5-(2,2-dicyanoethenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 3349214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).