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

C14H19N5S2 — CID 97272009

IUPACN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nc([C@@H](C)N(C)c2nc3c(s2)c(C)nn3C)c(C)s1
InChIInChI=1S/C14H19N5S2/c1-7-12-13(19(6)17-7)16-14(21-12)18(5)8(2)11-9(3)20-10(4)15-11/h8H,1-6H3/t8-/m1/s1
InChIKeyWMOINEAHZQGQJB-MRVPVSSYSA-N
MW321.48 g/mol
LogP3.61
Rot. Bonds3

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

N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 97272009) has the molecular formula C14H19N5S2 and a molecular weight of 321.48 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID97272009
Molecular FormulaC14H19N5S2
Molecular Weight321.48 g/mol
Exact Mass321.11
IUPAC NameN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nc([C@@H](C)N(C)c2nc3c(s2)c(C)nn3C)c(C)s1
InChIInChI=1S/C14H19N5S2/c1-7-12-13(19(6)17-7)16-14(21-12)18(5)8(2)11-9(3)20-10(4)15-11/h8H,1-6H3/t8-/m1/s1
InChIKeyWMOINEAHZQGQJB-MRVPVSSYSA-N
XLogP3.61
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 97272009) is N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nc([C@@H](C)N(C)c2nc3c(s2)c(C)nn3C)c(C)s1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is WMOINEAHZQGQJB-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H19N5S2/c1-7-12-13(19(6)17-7)16-14(21-12)18(5)8(2)11-9(3)20-10(4)15-11/h8H,1-6H3/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 321.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 97272009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).