4-tert-butyl-1,3-thiazol-2-amine;hydrobromide

C7H13BrN2S — CID 16896301

IUPAC4-tert-butyl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.CC(C)(C)c1csc(N)n1
InChIInChI=1S/C7H12N2S.BrH/c1-7(2,3)5-4-10-6(8)9-5;/h4H,1-3H3,(H2,8,9);1H
InChIKeyPDGLVJAXKUQNMT-UHFFFAOYSA-N
MW237.17 g/mol
LogP2.60
Rot. Bonds

About 4-tert-butyl-1,3-thiazol-2-amine;hydrobromide

4-tert-butyl-1,3-thiazol-2-amine;hydrobromide (PubChem CID 16896301) has the molecular formula C7H13BrN2S and a molecular weight of 237.17 g/mol. Its IUPAC name is 4-tert-butyl-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-tert-butyl-1,3-thiazol-2-amine;hydrobromide
PubChem CID16896301
Molecular FormulaC7H13BrN2S
Molecular Weight237.17 g/mol
Exact Mass236.00
IUPAC Name4-tert-butyl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.CC(C)(C)c1csc(N)n1
InChIInChI=1S/C7H12N2S.BrH/c1-7(2,3)5-4-10-6(8)9-5;/h4H,1-3H3,(H2,8,9);1H
InChIKeyPDGLVJAXKUQNMT-UHFFFAOYSA-N
XLogP2.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-tert-butyl-1,3-thiazol-2-amine;hydrobromide (CID 16896301) is 4-tert-butyl-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-tert-butyl-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-tert-butyl-1,3-thiazol-2-amine;hydrobromide is Br.CC(C)(C)c1csc(N)n1.
What is the InChIKey of 4-tert-butyl-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is PDGLVJAXKUQNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S.BrH/c1-7(2,3)5-4-10-6(8)9-5;/h4H,1-3H3,(H2,8,9);1H.
What are the key properties of 4-tert-butyl-1,3-thiazol-2-amine;hydrobromide?
4-tert-butyl-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 237.17 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 16896301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).