1,3-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C13H17N5S2 — CID 72887956

IUPAC1,3-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCCc1nc(CNc2nc3c(s2)c(C)nn3C)cs1
InChIInChI=1S/C13H17N5S2/c1-4-5-10-15-9(7-19-10)6-14-13-16-12-11(20-13)8(2)17-18(12)3/h7H,4-6H2,1-3H3,(H,14,16)
InChIKeyYFOSXATVCYLNEB-UHFFFAOYSA-N
MW307.45 g/mol
LogP3.36
Rot. Bonds5

About 1,3-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72887956) has the molecular formula C13H17N5S2 and a molecular weight of 307.45 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72887956
Molecular FormulaC13H17N5S2
Molecular Weight307.45 g/mol
Exact Mass307.09
IUPAC Name1,3-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCCc1nc(CNc2nc3c(s2)c(C)nn3C)cs1
InChIInChI=1S/C13H17N5S2/c1-4-5-10-15-9(7-19-10)6-14-13-16-12-11(20-13)8(2)17-18(12)3/h7H,4-6H2,1-3H3,(H,14,16)
InChIKeyYFOSXATVCYLNEB-UHFFFAOYSA-N
XLogP3.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72887956) is 1,3-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is CCCc1nc(CNc2nc3c(s2)c(C)nn3C)cs1.
What is the InChIKey of 1,3-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is YFOSXATVCYLNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S2/c1-4-5-10-15-9(7-19-10)6-14-13-16-12-11(20-13)8(2)17-18(12)3/h7H,4-6H2,1-3H3,(H,14,16).
What are the key properties of 1,3-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 307.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72887956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).