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

C11H13N5S2 — CID 72854392

IUPAC1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1csc(CNc2nc3c(s2)c(C)nn3C)n1
InChIInChI=1S/C11H13N5S2/c1-6-5-17-8(13-6)4-12-11-14-10-9(18-11)7(2)15-16(10)3/h5H,4H2,1-3H3,(H,12,14)
InChIKeyVEALGXVRUUHECB-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.72
Rot. Bonds3

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

1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72854392) has the molecular formula C11H13N5S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72854392
Molecular FormulaC11H13N5S2
Molecular Weight279.39 g/mol
Exact Mass279.06
IUPAC Name1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1csc(CNc2nc3c(s2)c(C)nn3C)n1
InChIInChI=1S/C11H13N5S2/c1-6-5-17-8(13-6)4-12-11-14-10-9(18-11)7(2)15-16(10)3/h5H,4H2,1-3H3,(H,12,14)
InChIKeyVEALGXVRUUHECB-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-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72854392) is 1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1csc(CNc2nc3c(s2)c(C)nn3C)n1.
What is the InChIKey of 1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is VEALGXVRUUHECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S2/c1-6-5-17-8(13-6)4-12-11-14-10-9(18-11)7(2)15-16(10)3/h5H,4H2,1-3H3,(H,12,14).
What are the key properties of 1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-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-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72854392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).