N-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine

C13H17N3OS — CID 96687368

IUPACN-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1csc(N(C)c2ccc(OCCN)cc2)n1
InChIInChI=1S/C13H17N3OS/c1-10-9-18-13(15-10)16(2)11-3-5-12(6-4-11)17-8-7-14/h3-6,9H,7-8,14H2,1-2H3
InChIKeyONZAHGOUKJTCKG-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.56
Rot. Bonds5

About N-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine

N-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 96687368) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID96687368
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1csc(N(C)c2ccc(OCCN)cc2)n1
InChIInChI=1S/C13H17N3OS/c1-10-9-18-13(15-10)16(2)11-3-5-12(6-4-11)17-8-7-14/h3-6,9H,7-8,14H2,1-2H3
InChIKeyONZAHGOUKJTCKG-UHFFFAOYSA-N
XLogP2.56
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde
CID 10446160
N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 60870998
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110723612
2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]ethanamine
CID 18523680
4-[2-(dimethylamino)ethoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 82539184
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine
CID 50955634
4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 57108917
N-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 51133637
3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid
CID 103486807
N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 102874488
4-[2-(dimethylamino)ethoxy]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 110452190

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine (CID 96687368) is N-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine is Cc1csc(N(C)c2ccc(OCCN)cc2)n1.
What is the InChIKey of N-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is ONZAHGOUKJTCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-9-18-13(15-10)16(2)11-3-5-12(6-4-11)17-8-7-14/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of N-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine?
N-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)phenyl]-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 96687368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).