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

C11H16N4S — CID 54467280

IUPACN'-[4-cyano-3-(2-methylpropyl)-1,2-thiazol-5-yl]-N,N-dimethylmethanimidamide
SMILESCC(C)Cc1nsc(N=CN(C)C)c1C#N
InChIInChI=1S/C11H16N4S/c1-8(2)5-10-9(6-12)11(16-14-10)13-7-15(3)4/h7-8H,5H2,1-4H3
InChIKeyXFURFJYFGOPWID-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.43
Rot. Bonds4

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

N'-[4-cyano-3-(2-methylpropyl)-1,2-thiazol-5-yl]-N,N-dimethylmethanimidamide (PubChem CID 54467280) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N'-[4-cyano-3-(2-methylpropyl)-1,2-thiazol-5-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-cyano-3-(2-methylpropyl)-1,2-thiazol-5-yl]-N,N-dimethylmethanimidamide
PubChem CID54467280
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN'-[4-cyano-3-(2-methylpropyl)-1,2-thiazol-5-yl]-N,N-dimethylmethanimidamide
SMILESCC(C)Cc1nsc(N=CN(C)C)c1C#N
InChIInChI=1S/C11H16N4S/c1-8(2)5-10-9(6-12)11(16-14-10)13-7-15(3)4/h7-8H,5H2,1-4H3
InChIKeyXFURFJYFGOPWID-UHFFFAOYSA-N
XLogP2.43
TPSA52.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-cyano-3-(2-methylpropyl)-1,2-thiazol-5-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-cyano-3-(2-methylpropyl)-1,2-thiazol-5-yl]-N,N-dimethylmethanimidamide (CID 54467280) is N'-[4-cyano-3-(2-methylpropyl)-1,2-thiazol-5-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-cyano-3-(2-methylpropyl)-1,2-thiazol-5-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-cyano-3-(2-methylpropyl)-1,2-thiazol-5-yl]-N,N-dimethylmethanimidamide is CC(C)Cc1nsc(N=CN(C)C)c1C#N.
What is the InChIKey of N'-[4-cyano-3-(2-methylpropyl)-1,2-thiazol-5-yl]-N,N-dimethylmethanimidamide?
The InChIKey is XFURFJYFGOPWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-8(2)5-10-9(6-12)11(16-14-10)13-7-15(3)4/h7-8H,5H2,1-4H3.
What are the key properties of N'-[4-cyano-3-(2-methylpropyl)-1,2-thiazol-5-yl]-N,N-dimethylmethanimidamide?
N'-[4-cyano-3-(2-methylpropyl)-1,2-thiazol-5-yl]-N,N-dimethylmethanimidamide has a molecular weight of 236.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-cyano-3-(2-methylpropyl)-1,2-thiazol-5-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 54467280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).