N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide

C14H17N3S — CID 55159588

IUPACN'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide
SMILESCc1nc(C)c(C(C)/N=C(\N)c2ccccc2)s1
InChIInChI=1S/C14H17N3S/c1-9-13(18-11(3)16-9)10(2)17-14(15)12-7-5-4-6-8-12/h4-8,10H,1-3H3,(H2,15,17)
InChIKeyXAHDDQWQMOPCNM-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.23
Rot. Bonds3

About N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide

N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide (PubChem CID 55159588) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide
PubChem CID55159588
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide
SMILESCc1nc(C)c(C(C)/N=C(\N)c2ccccc2)s1
InChIInChI=1S/C14H17N3S/c1-9-13(18-11(3)16-9)10(2)17-14(15)12-7-5-4-6-8-12/h4-8,10H,1-3H3,(H2,15,17)
InChIKeyXAHDDQWQMOPCNM-UHFFFAOYSA-N
XLogP3.23
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
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'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide?
The IUPAC name of N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide (CID 55159588) is N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide.
What is the SMILES notation for N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide?
The canonical SMILES for N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide is Cc1nc(C)c(C(C)/N=C(\N)c2ccccc2)s1.
What is the InChIKey of N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide?
The InChIKey is XAHDDQWQMOPCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-9-13(18-11(3)16-9)10(2)17-14(15)12-7-5-4-6-8-12/h4-8,10H,1-3H3,(H2,15,17).
What are the key properties of N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide?
N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide has a molecular weight of 259.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide is sourced from PubChem (CID 55159588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).