4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine

C11H19BrN2S — CID 79398796

IUPAC4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCCCCN(c1nc(Br)cs1)C(C)C
InChIInChI=1S/C11H19BrN2S/c1-4-5-6-7-14(9(2)3)11-13-10(12)8-15-11/h8-9H,4-7H2,1-3H3
InChIKeyPBXPSYZAGXBTII-UHFFFAOYSA-N
MW291.26 g/mol
LogP4.31
Rot. Bonds6

About 4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine

4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 79398796) has the molecular formula C11H19BrN2S and a molecular weight of 291.26 g/mol. Its IUPAC name is 4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID79398796
Molecular FormulaC11H19BrN2S
Molecular Weight291.26 g/mol
Exact Mass290.05
IUPAC Name4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCCCCN(c1nc(Br)cs1)C(C)C
InChIInChI=1S/C11H19BrN2S/c1-4-5-6-7-14(9(2)3)11-13-10(12)8-15-11/h8-9H,4-7H2,1-3H3
InChIKeyPBXPSYZAGXBTII-UHFFFAOYSA-N
XLogP4.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 45787499
CID 45787499
CID 59118286
CID 59118286
CID 169266631
CID 169266631
CID 79398922
CID 79398922
CID 79399412
CID 79399412
CID 79399535
CID 79399535
CID 79399659
CID 79399659
CID 79399802
CID 79399802
CID 164651187
CID 164651187
CID 15329642
CID 15329642
CID 43811061
CID 43811061
CID 45787500
CID 45787500

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine (CID 79398796) is 4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine is CCCCCN(c1nc(Br)cs1)C(C)C.
What is the InChIKey of 4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is PBXPSYZAGXBTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2S/c1-4-5-6-7-14(9(2)3)11-13-10(12)8-15-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine?
4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 291.26 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79398796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).