N-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

C14H21N7S2 — CID 72872217

IUPACN-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCN(CC)CCc1nnc(Nc2nc3c(s2)c(C)nn3C)s1
InChIInChI=1S/C14H21N7S2/c1-5-21(6-2)8-7-10-17-18-14(22-10)16-13-15-12-11(23-13)9(3)19-20(12)4/h5-8H2,1-4H3,(H,15,16,18)
InChIKeyHQORNPSHMZWIKE-UHFFFAOYSA-N
MW351.51 g/mol
LogP2.82
Rot. Bonds7

About N-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

N-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72872217) has the molecular formula C14H21N7S2 and a molecular weight of 351.51 g/mol. Its IUPAC name is N-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72872217
Molecular FormulaC14H21N7S2
Molecular Weight351.51 g/mol
Exact Mass351.13
IUPAC NameN-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCN(CC)CCc1nnc(Nc2nc3c(s2)c(C)nn3C)s1
InChIInChI=1S/C14H21N7S2/c1-5-21(6-2)8-7-10-17-18-14(22-10)16-13-15-12-11(23-13)9(3)19-20(12)4/h5-8H2,1-4H3,(H,15,16,18)
InChIKeyHQORNPSHMZWIKE-UHFFFAOYSA-N
XLogP2.82
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72872217) is N-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is CCN(CC)CCc1nnc(Nc2nc3c(s2)c(C)nn3C)s1.
What is the InChIKey of N-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is HQORNPSHMZWIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7S2/c1-5-21(6-2)8-7-10-17-18-14(22-10)16-13-15-12-11(23-13)9(3)19-20(12)4/h5-8H2,1-4H3,(H,15,16,18).
What are the key properties of N-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 351.51 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72872217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).