N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine

C11H16N4S — CID 43534767

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine
SMILESCc1nc(C(C)Nc2cnn(C)c2)c(C)s1
InChIInChI=1S/C11H16N4S/c1-7(11-8(2)16-9(3)14-11)13-10-5-12-15(4)6-10/h5-7,13H,1-4H3
InChIKeyVPEYSBOJJHSLBF-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.67
Rot. Bonds3

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine (PubChem CID 43534767) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine
PubChem CID43534767
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine
SMILESCc1nc(C(C)Nc2cnn(C)c2)c(C)s1
InChIInChI=1S/C11H16N4S/c1-7(11-8(2)16-9(3)14-11)13-10-5-12-15(4)6-10/h5-7,13H,1-4H3
InChIKeyVPEYSBOJJHSLBF-UHFFFAOYSA-N
XLogP2.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine (CID 43534767) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine is Cc1nc(C(C)Nc2cnn(C)c2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine?
The InChIKey is VPEYSBOJJHSLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7(11-8(2)16-9(3)14-11)13-10-5-12-15(4)6-10/h5-7,13H,1-4H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine has a molecular weight of 236.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 43534767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).