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

C12H15N5S2 — CID 72850935

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCc1nc(CNc2nc3c(s2)c(C)nn3C)cs1
InChIInChI=1S/C12H15N5S2/c1-4-9-14-8(6-18-9)5-13-12-15-11-10(19-12)7(2)16-17(11)3/h6H,4-5H2,1-3H3,(H,13,15)
InChIKeyRVHATCVJTUMKEP-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.97
Rot. Bonds4

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72850935) has the molecular formula C12H15N5S2 and a molecular weight of 293.42 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72850935
Molecular FormulaC12H15N5S2
Molecular Weight293.42 g/mol
Exact Mass293.08
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCc1nc(CNc2nc3c(s2)c(C)nn3C)cs1
InChIInChI=1S/C12H15N5S2/c1-4-9-14-8(6-18-9)5-13-12-15-11-10(19-12)7(2)16-17(11)3/h6H,4-5H2,1-3H3,(H,13,15)
InChIKeyRVHATCVJTUMKEP-UHFFFAOYSA-N
XLogP2.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72850935) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is CCc1nc(CNc2nc3c(s2)c(C)nn3C)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is RVHATCVJTUMKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S2/c1-4-9-14-8(6-18-9)5-13-12-15-11-10(19-12)7(2)16-17(11)3/h6H,4-5H2,1-3H3,(H,13,15).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 293.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72850935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).