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

C11H13N3S — CID 63759016

IUPACN-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine
SMILESNCCc1ccc(Nc2nccs2)cc1
InChIInChI=1S/C11H13N3S/c12-6-5-9-1-3-10(4-2-9)14-11-13-7-8-15-11/h1-4,7-8H,5-6,12H2,(H,13,14)
InChIKeyQBGWJSFGGRGYPF-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.39
Rot. Bonds4

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

N-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 63759016) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID63759016
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine
SMILESNCCc1ccc(Nc2nccs2)cc1
InChIInChI=1S/C11H13N3S/c12-6-5-9-1-3-10(4-2-9)14-11-13-7-8-15-11/h1-4,7-8H,5-6,12H2,(H,13,14)
InChIKeyQBGWJSFGGRGYPF-UHFFFAOYSA-N
XLogP2.39
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
CID 177016308
N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 89458948
N-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine
CID 87964045
2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine
CID 164658462
N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine
CID 60658715
6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19147555
N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 87538093
ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate
CID 21440022
N-[1-(2-aminoethyl)-6-methyl-9H-carbazol-3-yl]-1,3-thiazol-2-amine
CID 174338579
4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71580375
2-methyl-5-(1,3-thiazol-2-ylamino)phenol
CID 86645029
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine (CID 63759016) is N-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine is NCCc1ccc(Nc2nccs2)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is QBGWJSFGGRGYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c12-6-5-9-1-3-10(4-2-9)14-11-13-7-8-15-11/h1-4,7-8H,5-6,12H2,(H,13,14).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine?
N-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 219.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63759016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).