1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine

C4H4BrClN2S — CID 89060823

IUPAC1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine
SMILESClNCc1cnc(Br)s1
InChIInChI=1S/C4H4BrClN2S/c5-4-7-1-3(9-4)2-8-6/h1,8H,2H2
InChIKeyJQGWILWTSYRXQT-UHFFFAOYSA-N
MW227.51 g/mol
LogP2.15
Rot. Bonds2

About 1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine

1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine (PubChem CID 89060823) has the molecular formula C4H4BrClN2S and a molecular weight of 227.51 g/mol. Its IUPAC name is 1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine.

Molecular Properties

Compound Name1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine
PubChem CID89060823
Molecular FormulaC4H4BrClN2S
Molecular Weight227.51 g/mol
Exact Mass225.90
IUPAC Name1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine
SMILESClNCc1cnc(Br)s1
InChIInChI=1S/C4H4BrClN2S/c5-4-7-1-3(9-4)2-8-6/h1,8H,2H2
InChIKeyJQGWILWTSYRXQT-UHFFFAOYSA-N
XLogP2.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.51
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 117192655
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
N-chloro-1-[2-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]methanamine
CID 126719236
2-(2-bromo-1,3-thiazol-5-yl)acetic acid
CID 71721405
2-bromo-5-(2-methoxyethyl)-1,3-thiazole
CID 117259730
4-N-[(2-bromo-1,3-thiazol-5-yl)methyl]-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 56654545
2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole
CID 117192611
3,5-dibromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168584230
2-bromo-5-chloro-1,3-thiazole
CID 18519960
2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole
CID 130153728
4-(2-bromo-1,3-thiazol-5-yl)butan-2-one
CID 133063627
2-bromo-5-(3-methoxypropyl)-1,3-thiazole
CID 134456698

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine?
The IUPAC name of 1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine (CID 89060823) is 1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine.
What is the SMILES notation for 1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine?
The canonical SMILES for 1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine is ClNCc1cnc(Br)s1.
What is the InChIKey of 1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine?
The InChIKey is JQGWILWTSYRXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrClN2S/c5-4-7-1-3(9-4)2-8-6/h1,8H,2H2.
What are the key properties of 1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine?
1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine has a molecular weight of 227.51 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine is sourced from PubChem (CID 89060823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).