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

C15H21N3S — CID 59828904

IUPAC4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)CNc1nc(-c2ccc(CN)cc2)cs1
InChIInChI=1S/C15H21N3S/c1-15(2,3)10-17-14-18-13(9-19-14)12-6-4-11(8-16)5-7-12/h4-7,9H,8,10,16H2,1-3H3,(H,17,18)
InChIKeyMNQFYPYTTXINDP-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.73
Rot. Bonds4

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

4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine (PubChem CID 59828904) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
PubChem CID59828904
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)CNc1nc(-c2ccc(CN)cc2)cs1
InChIInChI=1S/C15H21N3S/c1-15(2,3)10-17-14-18-13(9-19-14)12-6-4-11(8-16)5-7-12/h4-7,9H,8,10,16H2,1-3H3,(H,17,18)
InChIKeyMNQFYPYTTXINDP-UHFFFAOYSA-N
XLogP3.73
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 59828852
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
CID 63689550
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 43602747
N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 60642064
4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
CID 114810398
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133371380
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]prop-2-ene-1-sulfonamide
CID 79672605
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
CID 114810401
4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 51107739
ethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate
CID 82316835
4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 122499792

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine (CID 59828904) is 4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine is CC(C)(C)CNc1nc(-c2ccc(CN)cc2)cs1.
What is the InChIKey of 4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine?
The InChIKey is MNQFYPYTTXINDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-15(2,3)10-17-14-18-13(9-19-14)12-6-4-11(8-16)5-7-12/h4-7,9H,8,10,16H2,1-3H3,(H,17,18).
What are the key properties of 4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine?
4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 59828904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).