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

C12H18N4S — CID 43543301

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC(C)c2nc(C)sc2C)cn1
InChIInChI=1S/C12H18N4S/c1-5-16-7-11(6-13-16)14-8(2)12-9(3)17-10(4)15-12/h6-8,14H,5H2,1-4H3
InChIKeyGNUVIEODAARZDL-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.15
Rot. Bonds4

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

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-ethylpyrazol-4-amine (PubChem CID 43543301) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-ethylpyrazol-4-amine
PubChem CID43543301
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC(C)c2nc(C)sc2C)cn1
InChIInChI=1S/C12H18N4S/c1-5-16-7-11(6-13-16)14-8(2)12-9(3)17-10(4)15-12/h6-8,14H,5H2,1-4H3
InChIKeyGNUVIEODAARZDL-UHFFFAOYSA-N
XLogP3.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.15
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-ethylpyrazol-4-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-ethylpyrazol-4-amine (CID 43543301) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-ethylpyrazol-4-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-ethylpyrazol-4-amine is CCn1cc(NC(C)c2nc(C)sc2C)cn1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-ethylpyrazol-4-amine?
The InChIKey is GNUVIEODAARZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-5-16-7-11(6-13-16)14-8(2)12-9(3)17-10(4)15-12/h6-8,14H,5H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-ethylpyrazol-4-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-ethylpyrazol-4-amine has a molecular weight of 250.37 g/mol, XLogP of 3.15, 4 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-ethylpyrazol-4-amine is sourced from PubChem (CID 43543301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).