1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine

C10H15BrN2S — CID 82437535

IUPAC1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc(C2CC2)c(CBr)s1
InChIInChI=1S/C10H15BrN2S/c1-13(2)6-9-12-10(7-3-4-7)8(5-11)14-9/h7H,3-6H2,1-2H3
InChIKeyQRJAKOAPOXMBDB-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.98
Rot. Bonds4

About 1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine

1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine (PubChem CID 82437535) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
PubChem CID82437535
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc(C2CC2)c(CBr)s1
InChIInChI=1S/C10H15BrN2S/c1-13(2)6-9-12-10(7-3-4-7)8(5-11)14-9/h7H,3-6H2,1-2H3
InChIKeyQRJAKOAPOXMBDB-UHFFFAOYSA-N
XLogP2.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82437750
2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82437537
5-(bromomethyl)-4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazole
CID 82436694
5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole
CID 82436791
2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82437541
1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82437555
5-(bromomethyl)-4-cyclopropyl-2-pentan-3-yl-1,3-thiazole
CID 82437074
(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
CID 82435899
[4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
CID 82436940
1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367019
1-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82436151
5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 63916162

Frequently Asked Questions

What is the IUPAC name of 1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine (CID 82437535) is 1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine is CN(C)Cc1nc(C2CC2)c(CBr)s1.
What is the InChIKey of 1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine?
The InChIKey is QRJAKOAPOXMBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-13(2)6-9-12-10(7-3-4-7)8(5-11)14-9/h7H,3-6H2,1-2H3.
What are the key properties of 1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine?
1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine has a molecular weight of 275.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(bromomethyl)-4-cyclopropyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 82437535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).