N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine

C9H15ClN2S — CID 104878932

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1ncc(Cl)s1
InChIInChI=1S/C9H15ClN2S/c1-4-9(2,3)12-6-8-11-5-7(10)13-8/h5,12H,4,6H2,1-3H3
InChIKeyGQGNBHKPAHXYSE-UHFFFAOYSA-N
MW218.75 g/mol
LogP3.07
Rot. Bonds4

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine (PubChem CID 104878932) has the molecular formula C9H15ClN2S and a molecular weight of 218.75 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine
PubChem CID104878932
Molecular FormulaC9H15ClN2S
Molecular Weight218.75 g/mol
Exact Mass218.06
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1ncc(Cl)s1
InChIInChI=1S/C9H15ClN2S/c1-4-9(2,3)12-6-8-11-5-7(10)13-8/h5,12H,4,6H2,1-3H3
InChIKeyGQGNBHKPAHXYSE-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 104878972
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 104879543
2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 104879510
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430
N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66223891
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)methanamine
CID 104879256
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 107124089
N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine
CID 28565422
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2,2-dimethylpropanenitrile
CID 104881401
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 104878338
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 104879273

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine (CID 104878932) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine is CCC(C)(C)NCc1ncc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine?
The InChIKey is GQGNBHKPAHXYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2S/c1-4-9(2,3)12-6-8-11-5-7(10)13-8/h5,12H,4,6H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine has a molecular weight of 218.75 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 104878932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).