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

C11H13N5S2 — CID 72912052

IUPAC1,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nc(CNc2nc3c(s2)c(C)nn3C)cs1
InChIInChI=1S/C11H13N5S2/c1-6-9-10(16(3)15-6)14-11(18-9)12-4-8-5-17-7(2)13-8/h5H,4H2,1-3H3,(H,12,14)
InChIKeySCDXOYNDUSSMDN-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.72
Rot. Bonds3

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

1,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72912052) has the molecular formula C11H13N5S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72912052
Molecular FormulaC11H13N5S2
Molecular Weight279.39 g/mol
Exact Mass279.06
IUPAC Name1,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nc(CNc2nc3c(s2)c(C)nn3C)cs1
InChIInChI=1S/C11H13N5S2/c1-6-9-10(16(3)15-6)14-11(18-9)12-4-8-5-17-7(2)13-8/h5H,4H2,1-3H3,(H,12,14)
InChIKeySCDXOYNDUSSMDN-UHFFFAOYSA-N
XLogP2.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.72
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-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72912052) is 1,3-dimethyl-N-[(2-methyl-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-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nc(CNc2nc3c(s2)c(C)nn3C)cs1.
What is the InChIKey of 1,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is SCDXOYNDUSSMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S2/c1-6-9-10(16(3)15-6)14-11(18-9)12-4-8-5-17-7(2)13-8/h5H,4H2,1-3H3,(H,12,14).
What are the key properties of 1,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 279.39 g/mol, XLogP of 2.72, 3 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-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72912052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).