N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine

C15H21N3S — CID 82102821

IUPACN'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
SMILESCCc1ccc(-c2csc(CCNCCN)n2)cc1
InChIInChI=1S/C15H21N3S/c1-2-12-3-5-13(6-4-12)14-11-19-15(18-14)7-9-17-10-8-16/h3-6,11,17H,2,7-10,16H2,1H3
InChIKeyZNTMJUBRZULFCQ-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.46
Rot. Bonds7

About N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine

N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine (PubChem CID 82102821) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
PubChem CID82102821
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
SMILESCCc1ccc(-c2csc(CCNCCN)n2)cc1
InChIInChI=1S/C15H21N3S/c1-2-12-3-5-13(6-4-12)14-11-19-15(18-14)7-9-17-10-8-16/h3-6,11,17H,2,7-10,16H2,1H3
InChIKeyZNTMJUBRZULFCQ-UHFFFAOYSA-N
XLogP2.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]-3-methoxypropan-1-amine
CID 82103057
N'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
CID 10735945
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965129
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120558492
4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317833
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 24703190
N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine
CID 82103460
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 82102962
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
N-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]prop-2-en-1-amine
CID 82103343

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine (CID 82102821) is N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine is CCc1ccc(-c2csc(CCNCCN)n2)cc1.
What is the InChIKey of N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine?
The InChIKey is ZNTMJUBRZULFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-2-12-3-5-13(6-4-12)14-11-19-15(18-14)7-9-17-10-8-16/h3-6,11,17H,2,7-10,16H2,1H3.
What are the key properties of N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine?
N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine has a molecular weight of 275.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 82102821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).