2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

C11H15ClN4S — CID 105180369

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(N)Cc2c(C)nn(C)c2Cl)cs1
InChIInChI=1S/C11H15ClN4S/c1-6-8(11(12)16(3)15-6)4-9(13)10-5-17-7(2)14-10/h5,9H,4,13H2,1-3H3
InChIKeyMSYMAEBQQKDPMS-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.39
Rot. Bonds3

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 105180369) has the molecular formula C11H15ClN4S and a molecular weight of 270.79 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID105180369
Molecular FormulaC11H15ClN4S
Molecular Weight270.79 g/mol
Exact Mass270.07
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(N)Cc2c(C)nn(C)c2Cl)cs1
InChIInChI=1S/C11H15ClN4S/c1-6-8(11(12)16(3)15-6)4-9(13)10-5-17-7(2)14-10/h5,9H,4,13H2,1-3H3
InChIKeyMSYMAEBQQKDPMS-UHFFFAOYSA-N
XLogP2.39
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105180396
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 105034993
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-1,1-difluoropropan-2-amine
CID 103517071
1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 113470316
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine
CID 105035109
1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035202
1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035077
2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107311807
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine
CID 113470210
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408238
2-(1-ethylimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105165882

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 105180369) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(C(N)Cc2c(C)nn(C)c2Cl)cs1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is MSYMAEBQQKDPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4S/c1-6-8(11(12)16(3)15-6)4-9(13)10-5-17-7(2)14-10/h5,9H,4,13H2,1-3H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 270.79 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 105180369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).