N-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine

C8H13ClN2S — CID 83186786

IUPACN-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NC(C)CCCl)n1
InChIInChI=1S/C8H13ClN2S/c1-6(3-4-9)10-8-11-7(2)5-12-8/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyYLNKSOOPVYAEQA-UHFFFAOYSA-N
MW204.73 g/mol
LogP2.88
Rot. Bonds4

About N-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine

N-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 83186786) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is N-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine
PubChem CID83186786
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC NameN-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NC(C)CCCl)n1
InChIInChI=1S/C8H13ClN2S/c1-6(3-4-9)10-8-11-7(2)5-12-8/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyYLNKSOOPVYAEQA-UHFFFAOYSA-N
XLogP2.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazol-2-amine
CID 106354400
4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 841733
5-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
CID 82846018
N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine
CID 65027979
N-(4-chlorobutan-2-yl)-6-methylpyridin-2-amine
CID 83186651
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]propanamide
CID 61467738
4-methyl-N-(1-thiophen-3-ylethyl)-1,3-thiazol-2-amine
CID 62842792
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 93057158
2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine
CID 83156525
2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
CID 43470226
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 79242353
2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)amino]pentan-1-ol
CID 106158680

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine (CID 83186786) is N-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine is Cc1csc(NC(C)CCCl)n1.
What is the InChIKey of N-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is YLNKSOOPVYAEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2S/c1-6(3-4-9)10-8-11-7(2)5-12-8/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of N-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine?
N-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 204.73 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutan-2-yl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 83186786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).