N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

C14H20N6S — CID 72909929

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1n[nH]c(C)c1CCN(C)c1nc2c(s1)c(C)nn2C
InChIInChI=1S/C14H20N6S/c1-8-11(9(2)17-16-8)6-7-19(4)14-15-13-12(21-14)10(3)18-20(13)5/h6-7H2,1-5H3,(H,16,17)
InChIKeyVMCBMSWJHOUNKA-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.36
Rot. Bonds4

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72909929) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72909929
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1n[nH]c(C)c1CCN(C)c1nc2c(s1)c(C)nn2C
InChIInChI=1S/C14H20N6S/c1-8-11(9(2)17-16-8)6-7-19(4)14-15-13-12(21-14)10(3)18-20(13)5/h6-7H2,1-5H3,(H,16,17)
InChIKeyVMCBMSWJHOUNKA-UHFFFAOYSA-N
XLogP2.36
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72909929) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1n[nH]c(C)c1CCN(C)c1nc2c(s1)c(C)nn2C.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is VMCBMSWJHOUNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-8-11(9(2)17-16-8)6-7-19(4)14-15-13-12(21-14)10(3)18-20(13)5/h6-7H2,1-5H3,(H,16,17).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 304.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72909929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).