1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C15H21N3S — CID 114362289

IUPAC1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(Cc2ccccn2)nc1C(C)(C)C
InChIInChI=1S/C15H21N3S/c1-15(2,3)14-12(10-16-4)19-13(18-14)9-11-7-5-6-8-17-11/h5-8,16H,9-10H2,1-4H3
InChIKeyMJFMBERPGIGRRU-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.15
Rot. Bonds4

About 1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114362289) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114362289
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(Cc2ccccn2)nc1C(C)(C)C
InChIInChI=1S/C15H21N3S/c1-15(2,3)14-12(10-16-4)19-13(18-14)9-11-7-5-6-8-17-11/h5-8,16H,9-10H2,1-4H3
InChIKeyMJFMBERPGIGRRU-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362524
1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 113459583
1-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362442
1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362305
1-[4-tert-butyl-2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362397
(2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine
CID 82438449
1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82438547
N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62764849
1-[4-tert-butyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439166
5-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-4-amine
CID 83107325
1-[4-tert-butyl-2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362415
N-[(4-tert-butyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82438601

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114362289) is 1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(Cc2ccccn2)nc1C(C)(C)C.
What is the InChIKey of 1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is MJFMBERPGIGRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-15(2,3)14-12(10-16-4)19-13(18-14)9-11-7-5-6-8-17-11/h5-8,16H,9-10H2,1-4H3.
What are the key properties of 1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114362289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).