5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine

C19H21N3S — CID 82186086

IUPAC5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1ccc(Cc2sc(N)nc2-c2ccccn2)cc1
InChIInChI=1S/C19H21N3S/c1-19(2,3)14-9-7-13(8-10-14)12-16-17(22-18(20)23-16)15-6-4-5-11-21-15/h4-11H,12H2,1-3H3,(H2,20,22)
InChIKeyUMRDGRQPGTUBDD-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.68
Rot. Bonds3

About 5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine

5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 82186086) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID82186086
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1ccc(Cc2sc(N)nc2-c2ccccn2)cc1
InChIInChI=1S/C19H21N3S/c1-19(2,3)14-9-7-13(8-10-14)12-16-17(22-18(20)23-16)15-6-4-5-11-21-15/h4-11H,12H2,1-3H3,(H2,20,22)
InChIKeyUMRDGRQPGTUBDD-UHFFFAOYSA-N
XLogP4.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 82186093
5-benzyl-4-phenyl-1,3-thiazol-2-amine
CID 57476891
N-[(4-tert-butylphenyl)methyl]pyridin-2-amine
CID 2228895
5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 82106454
4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
CID 141216793
4-[(2-amino-4-tert-butyl-1,3-thiazol-5-yl)methyl]benzene-1,2-dicarbonitrile
CID 107792605
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
3-tert-butyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068636
4-(furan-2-yl)-5-pyridin-2-yl-1,3-thiazol-2-amine
CID 23144699
2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]pyridine
CID 155908951
4-methyl-5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine
CID 43637199
2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine
CID 59453583

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine (CID 82186086) is 5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine is CC(C)(C)c1ccc(Cc2sc(N)nc2-c2ccccn2)cc1.
What is the InChIKey of 5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is UMRDGRQPGTUBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-19(2,3)14-9-7-13(8-10-14)12-16-17(22-18(20)23-16)15-6-4-5-11-21-15/h4-11H,12H2,1-3H3,(H2,20,22).
What are the key properties of 5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine?
5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 323.47 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 82186086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).