N'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide

C14H22N4S — CID 89091364

IUPACN'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide
SMILESC=C(C)/C=C(\N=C(/N)C(C)(C)C)c1sc(N)nc1C
InChIInChI=1S/C14H22N4S/c1-8(2)7-10(18-12(15)14(4,5)6)11-9(3)17-13(16)19-11/h7H,1H2,2-6H3,(H2,15,18)(H2,16,17)/b10-7-
InChIKeyGZFFVSCGOBAJOD-YFHOEESVSA-N
MW278.43 g/mol
LogP3.35
Rot. Bonds3

About N'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide

N'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide (PubChem CID 89091364) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide
PubChem CID89091364
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide
SMILESC=C(C)/C=C(\N=C(/N)C(C)(C)C)c1sc(N)nc1C
InChIInChI=1S/C14H22N4S/c1-8(2)7-10(18-12(15)14(4,5)6)11-9(3)17-13(16)19-11/h7H,1H2,2-6H3,(H2,15,18)(H2,16,17)/b10-7-
InChIKeyGZFFVSCGOBAJOD-YFHOEESVSA-N
XLogP3.35
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide?
The IUPAC name of N'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide (CID 89091364) is N'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide is C=C(C)/C=C(\N=C(/N)C(C)(C)C)c1sc(N)nc1C.
What is the InChIKey of N'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide?
The InChIKey is GZFFVSCGOBAJOD-YFHOEESVSA-N. The full InChI is InChI=1S/C14H22N4S/c1-8(2)7-10(18-12(15)14(4,5)6)11-9(3)17-13(16)19-11/h7H,1H2,2-6H3,(H2,15,18)(H2,16,17)/b10-7-.
What are the key properties of N'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide?
N'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide has a molecular weight of 278.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide is sourced from PubChem (CID 89091364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).