N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide

C14H16BrN3S — CID 23878040

IUPACN'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide
SMILESCCN(C=Nc1nc(-c2ccc(Br)cc2)cs1)CC
InChIInChI=1S/C14H16BrN3S/c1-3-18(4-2)10-16-14-17-13(9-19-14)11-5-7-12(15)8-6-11/h5-10H,3-4H2,1-2H3
InChIKeyRFCACLVOSLTORI-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.57
Rot. Bonds5

About N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide

N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide (PubChem CID 23878040) has the molecular formula C14H16BrN3S and a molecular weight of 338.27 g/mol. Its IUPAC name is N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide
PubChem CID23878040
Molecular FormulaC14H16BrN3S
Molecular Weight338.27 g/mol
Exact Mass337.02
IUPAC NameN'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide
SMILESCCN(C=Nc1nc(-c2ccc(Br)cc2)cs1)CC
InChIInChI=1S/C14H16BrN3S/c1-3-18(4-2)10-16-14-17-13(9-19-14)11-5-7-12(15)8-6-11/h5-10H,3-4H2,1-2H3
InChIKeyRFCACLVOSLTORI-UHFFFAOYSA-N
XLogP4.57
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.57
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-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide?
The IUPAC name of N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide (CID 23878040) is N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide.
What is the SMILES notation for N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide?
The canonical SMILES for N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide is CCN(C=Nc1nc(-c2ccc(Br)cc2)cs1)CC.
What is the InChIKey of N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide?
The InChIKey is RFCACLVOSLTORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3S/c1-3-18(4-2)10-16-14-17-13(9-19-14)11-5-7-12(15)8-6-11/h5-10H,3-4H2,1-2H3.
What are the key properties of N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide?
N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide has a molecular weight of 338.27 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide is sourced from PubChem (CID 23878040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).