N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine

C12H14BrN3S — CID 54960658

IUPACN-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(Nc2ncccc2Br)n1
InChIInChI=1S/C12H14BrN3S/c1-12(2,3)9-7-17-11(15-9)16-10-8(13)5-4-6-14-10/h4-7H,1-3H3,(H,14,15,16)
InChIKeyGHXAEBXNFYEQEU-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.34
Rot. Bonds2

About N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine

N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine (PubChem CID 54960658) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine
PubChem CID54960658
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC NameN-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(Nc2ncccc2Br)n1
InChIInChI=1S/C12H14BrN3S/c1-12(2,3)9-7-17-11(15-9)16-10-8(13)5-4-6-14-10/h4-7H,1-3H3,(H,14,15,16)
InChIKeyGHXAEBXNFYEQEU-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine (CID 54960658) is N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine is CC(C)(C)c1csc(Nc2ncccc2Br)n1.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine?
The InChIKey is GHXAEBXNFYEQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-12(2,3)9-7-17-11(15-9)16-10-8(13)5-4-6-14-10/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine?
N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine has a molecular weight of 312.24 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine is sourced from PubChem (CID 54960658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).