1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

C11H15N3S — CID 106760299

IUPAC1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1=NCCS1
InChIInChI=1S/C11H15N3S/c1-14(2)10-6-4-3-5-9(10)13-11-12-7-8-15-11/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKeyZFGOSGDBAREZHQ-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.27
Rot. Bonds2

About 1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 106760299) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID106760299
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NC1=NCCS1
InChIInChI=1S/C11H15N3S/c1-14(2)10-6-4-3-5-9(10)13-11-12-7-8-15-11/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKeyZFGOSGDBAREZHQ-UHFFFAOYSA-N
XLogP2.27
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 106760299) is 1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1ccccc1NC1=NCCS1.
What is the InChIKey of 1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is ZFGOSGDBAREZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-14(2)10-6-4-3-5-9(10)13-11-12-7-8-15-11/h3-6H,7-8H2,1-2H3,(H,12,13).
What are the key properties of 1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 221.33 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 106760299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).