N-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine

C15H21N3S — CID 62960824

IUPACN-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCc1csc(N(Cc2cccc(N)c2)C(C)C)n1
InChIInChI=1S/C15H21N3S/c1-4-14-10-19-15(17-14)18(11(2)3)9-12-6-5-7-13(16)8-12/h5-8,10-11H,4,9,16H2,1-3H3
InChIKeyBZUNWKSMRJCOEY-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.70
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine

N-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 62960824) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID62960824
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCc1csc(N(Cc2cccc(N)c2)C(C)C)n1
InChIInChI=1S/C15H21N3S/c1-4-14-10-19-15(17-14)18(11(2)3)9-12-6-5-7-13(16)8-12/h5-8,10-11H,4,9,16H2,1-3H3
InChIKeyBZUNWKSMRJCOEY-UHFFFAOYSA-N
XLogP3.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine
CID 60876264
N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 60875705
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
N-[(3-aminophenyl)methyl]-5-bromo-N-propan-2-ylpyrimidin-2-amine
CID 55251181
3-[(3-aminophenyl)methyl-propan-2-ylamino]pyrazine-2-carboxamide
CID 62685321
5-[(3-aminophenyl)methyl-propan-2-ylamino]pyridine-2-carbonitrile
CID 115490479
3-[[propan-2-yl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43460245
N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 43460249
4-[(3-aminophenyl)methyl-propan-2-ylamino]-3-fluorobenzonitrile
CID 60874759
3-[[(4-bromophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 43460270
3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
CID 115982039
3-(4,6-diethylpyrimidin-2-yl)aniline
CID 55205096

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine (CID 62960824) is N-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine is CCc1csc(N(Cc2cccc(N)c2)C(C)C)n1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is BZUNWKSMRJCOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-14-10-19-15(17-14)18(11(2)3)9-12-6-5-7-13(16)8-12/h5-8,10-11H,4,9,16H2,1-3H3.
What are the key properties of N-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine?
N-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 62960824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).