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

C14H18BrN3S — CID 114362305

IUPAC1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ncccc2Br)nc1C(C)(C)C
InChIInChI=1S/C14H18BrN3S/c1-14(2,3)12-10(8-16-4)19-13(18-12)11-9(15)6-5-7-17-11/h5-7,16H,8H2,1-4H3
InChIKeyJHKUEQZQQSWQED-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.98
Rot. Bonds3

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

1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114362305) has the molecular formula C14H18BrN3S and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114362305
Molecular FormulaC14H18BrN3S
Molecular Weight340.29 g/mol
Exact Mass339.04
IUPAC Name1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ncccc2Br)nc1C(C)(C)C
InChIInChI=1S/C14H18BrN3S/c1-14(2,3)12-10(8-16-4)19-13(18-12)11-9(15)6-5-7-17-11/h5-7,16H,8H2,1-4H3
InChIKeyJHKUEQZQQSWQED-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362442
N-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363130
1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82438547
1-[2-(4-bromo-3,5-dimethylphenyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362506
1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362289
1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362421
1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362377
1-[4-tert-butyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439166
1-[4-tert-butyl-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362417
1-[4-tert-butyl-2-(5-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362493
1-[4-tert-butyl-2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362415
1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362311

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114362305) is 1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2ncccc2Br)nc1C(C)(C)C.
What is the InChIKey of 1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is JHKUEQZQQSWQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3S/c1-14(2,3)12-10(8-16-4)19-13(18-12)11-9(15)6-5-7-17-11/h5-7,16H,8H2,1-4H3.
What are the key properties of 1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 340.29 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114362305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).