4-bromo-N-octyl-1,3-thiazol-2-amine

C11H19BrN2S — CID 115568968

IUPAC4-bromo-N-octyl-1,3-thiazol-2-amine
SMILESCCCCCCCCNc1nc(Br)cs1
InChIInChI=1S/C11H19BrN2S/c1-2-3-4-5-6-7-8-13-11-14-10(12)9-15-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeyRWBBMPBTULYHGC-UHFFFAOYSA-N
MW291.26 g/mol
LogP4.68
Rot. Bonds8

About 4-bromo-N-octyl-1,3-thiazol-2-amine

4-bromo-N-octyl-1,3-thiazol-2-amine (PubChem CID 115568968) has the molecular formula C11H19BrN2S and a molecular weight of 291.26 g/mol. Its IUPAC name is 4-bromo-N-octyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-octyl-1,3-thiazol-2-amine
PubChem CID115568968
Molecular FormulaC11H19BrN2S
Molecular Weight291.26 g/mol
Exact Mass290.05
IUPAC Name4-bromo-N-octyl-1,3-thiazol-2-amine
SMILESCCCCCCCCNc1nc(Br)cs1
InChIInChI=1S/C11H19BrN2S/c1-2-3-4-5-6-7-8-13-11-14-10(12)9-15-11/h9H,2-8H2,1H3,(H,13,14)
InChIKeyRWBBMPBTULYHGC-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromo-1,3-thiazol-2-yl)amino]propan-1-ol
CID 79399606
6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid
CID 79400565
2-(pentylamino)-1,3-thiazole-4-carboxamide
CID 69456979
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
4-bromo-N-(3-phenoxypropyl)-1,3-thiazol-2-amine
CID 79400626
1-N-(4-bromo-1,3-thiazol-2-yl)-2-methylpropane-1,2-diamine
CID 115303713
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-1,3-thiazol-2-amine
CID 104696672
1-[2-[(4-bromo-1,3-thiazol-2-yl)amino]ethylamino]propan-2-ol
CID 104594238
6-[(4-ethyl-1,3-thiazol-2-yl)amino]hexan-1-ol
CID 103918134
4-bromo-N-(2,3,3-trimethylbutan-2-yl)-1,3-thiazol-2-amine
CID 130692959
N-hexyl-4-(1H-indol-3-yl)-1,3-thiazol-2-amine
CID 45034189
2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid
CID 71347568

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-octyl-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-octyl-1,3-thiazol-2-amine (CID 115568968) is 4-bromo-N-octyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-octyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-octyl-1,3-thiazol-2-amine is CCCCCCCCNc1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-octyl-1,3-thiazol-2-amine?
The InChIKey is RWBBMPBTULYHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2S/c1-2-3-4-5-6-7-8-13-11-14-10(12)9-15-11/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-bromo-N-octyl-1,3-thiazol-2-amine?
4-bromo-N-octyl-1,3-thiazol-2-amine has a molecular weight of 291.26 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-octyl-1,3-thiazol-2-amine is sourced from PubChem (CID 115568968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).