5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine

C6H10BrN3S — CID 131206979

IUPAC5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CNCCBr)s1
InChIInChI=1S/C6H10BrN3S/c7-1-2-9-3-5-4-10-6(8)11-5/h4,9H,1-3H2,(H2,8,10)
InChIKeyDFCQBEWBMUFCSP-UHFFFAOYSA-N
MW236.14 g/mol
LogP1.21
Rot. Bonds4

About 5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine

5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 131206979) has the molecular formula C6H10BrN3S and a molecular weight of 236.14 g/mol. Its IUPAC name is 5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID131206979
Molecular FormulaC6H10BrN3S
Molecular Weight236.14 g/mol
Exact Mass234.98
IUPAC Name5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CNCCBr)s1
InChIInChI=1S/C6H10BrN3S/c7-1-2-9-3-5-4-10-6(8)11-5/h4,9H,1-3H2,(H2,8,10)
InChIKeyDFCQBEWBMUFCSP-UHFFFAOYSA-N
XLogP1.21
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(2-bromoethylamino)methyl]-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

5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine
CID 131206977
[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]methanol
CID 120902030
5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine
CID 166719325
5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine
CID 118958251
3-bromo-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 112644435
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60937078
3-methyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 64677698
5-[(cyclohex-3-en-1-ylamino)methyl]-1,3-thiazol-2-amine
CID 130617251
5-(3-aminoprop-2-enyl)-1,3-thiazol-2-amine
CID 173353662
methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methylamino]cyclobutyl]acetate
CID 120902032
2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide
CID 43840159
5-ethyl-1,3-thiazol-2-amine;thiourea
CID 160637365

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine (CID 131206979) is 5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine is Nc1ncc(CNCCBr)s1.
What is the InChIKey of 5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is DFCQBEWBMUFCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3S/c7-1-2-9-3-5-4-10-6(8)11-5/h4,9H,1-3H2,(H2,8,10).
What are the key properties of 5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine?
5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 236.14 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromoethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 131206979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).