N'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide

C16H21N3S — CID 4653684

IUPACN'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C16H21N3S/c1-16(2,3)13-8-6-12(7-9-13)14-10-20-15(18-14)17-11-19(4)5/h6-11H,1-5H3
InChIKeyXKJZQLKPAXOPHW-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.33
Rot. Bonds3

About N'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide

N'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 4653684) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
PubChem CID4653684
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C16H21N3S/c1-16(2,3)13-8-6-12(7-9-13)14-10-20-15(18-14)17-11-19(4)5/h6-11H,1-5H3
InChIKeyXKJZQLKPAXOPHW-UHFFFAOYSA-N
XLogP4.33
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide (CID 4653684) is N'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1.
What is the InChIKey of N'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is XKJZQLKPAXOPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-16(2,3)13-8-6-12(7-9-13)14-10-20-15(18-14)17-11-19(4)5/h6-11H,1-5H3.
What are the key properties of N'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide?
N'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 287.43 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 4653684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).