N-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine

C13H18N6S — CID 72921213

IUPACN-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCN(CCn1cccn1)c1nc2c(s1)c(C)nn2C
InChIInChI=1S/C13H18N6S/c1-4-18(8-9-19-7-5-6-14-19)13-15-12-11(20-13)10(2)16-17(12)3/h5-7H,4,8-9H2,1-3H3
InChIKeyLAYWLLNSHCJALT-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.06
Rot. Bonds5

About N-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine

N-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72921213) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is N-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72921213
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC NameN-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCN(CCn1cccn1)c1nc2c(s1)c(C)nn2C
InChIInChI=1S/C13H18N6S/c1-4-18(8-9-19-7-5-6-14-19)13-15-12-11(20-13)10(2)16-17(12)3/h5-7H,4,8-9H2,1-3H3
InChIKeyLAYWLLNSHCJALT-UHFFFAOYSA-N
XLogP2.06
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72921213) is N-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine is CCN(CCn1cccn1)c1nc2c(s1)c(C)nn2C.
What is the InChIKey of N-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is LAYWLLNSHCJALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-4-18(8-9-19-7-5-6-14-19)13-15-12-11(20-13)10(2)16-17(12)3/h5-7H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
N-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 290.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72921213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).