[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide

C17H26BrN3S — CID 142703214

IUPAC[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide
SMILESBr.NCc1cs/c(=N\C23CC4CC(CC(C4)C2)C3)n1C1CC1
InChIInChI=1S/C17H25N3S.BrH/c18-9-15-10-21-16(20(15)14-1-2-14)19-17-6-11-3-12(7-17)5-13(4-11)8-17;/h10-14H,1-9,18H2;1H/b19-16-;
InChIKeyYBKCIMSXAWVEJC-JWJVXZKMSA-N
MW384.39 g/mol
LogP3.79
Rot. Bonds3

About [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide

[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide (PubChem CID 142703214) has the molecular formula C17H26BrN3S and a molecular weight of 384.39 g/mol. Its IUPAC name is [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide.

Molecular Properties

Compound Name[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide
PubChem CID142703214
Molecular FormulaC17H26BrN3S
Molecular Weight384.39 g/mol
Exact Mass383.10
IUPAC Name[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide
SMILESBr.NCc1cs/c(=N\C23CC4CC(CC(C4)C2)C3)n1C1CC1
InChIInChI=1S/C17H25N3S.BrH/c18-9-15-10-21-16(20(15)14-1-2-14)19-17-6-11-3-12(7-17)5-13(4-11)8-17;/h10-14H,1-9,18H2;1H/b19-16-;
InChIKeyYBKCIMSXAWVEJC-JWJVXZKMSA-N
XLogP3.79
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide?
The IUPAC name of [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide (CID 142703214) is [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide.
What is the SMILES notation for [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide?
The canonical SMILES for [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide is Br.NCc1cs/c(=N\C23CC4CC(CC(C4)C2)C3)n1C1CC1.
What is the InChIKey of [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide?
The InChIKey is YBKCIMSXAWVEJC-JWJVXZKMSA-N. The full InChI is InChI=1S/C17H25N3S.BrH/c18-9-15-10-21-16(20(15)14-1-2-14)19-17-6-11-3-12(7-17)5-13(4-11)8-17;/h10-14H,1-9,18H2;1H/b19-16-;.
What are the key properties of [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide?
[2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide has a molecular weight of 384.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylimino)-3-cyclopropyl-1,3-thiazol-4-yl]methanamine;hydrobromide is sourced from PubChem (CID 142703214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).