7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

C12H10ClN5S — CID 59646514

IUPAC7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCc1nc(Cl)c2nc(Nc3ncccc3C)sc2n1
InChIInChI=1S/C12H10ClN5S/c1-6-4-3-5-14-10(6)18-12-17-8-9(13)15-7(2)16-11(8)19-12/h3-5H,1-2H3,(H,14,17,18)
InChIKeyWRSZJYAUBUNOPG-UHFFFAOYSA-N
MW291.77 g/mol
LogP3.50
Rot. Bonds2

About 7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 59646514) has the molecular formula C12H10ClN5S and a molecular weight of 291.77 g/mol. Its IUPAC name is 7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID59646514
Molecular FormulaC12H10ClN5S
Molecular Weight291.77 g/mol
Exact Mass291.03
IUPAC Name7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESCc1nc(Cl)c2nc(Nc3ncccc3C)sc2n1
InChIInChI=1S/C12H10ClN5S/c1-6-4-3-5-14-10(6)18-12-17-8-9(13)15-7(2)16-11(8)19-12/h3-5H,1-2H3,(H,14,17,18)
InChIKeyWRSZJYAUBUNOPG-UHFFFAOYSA-N
XLogP3.50
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.77
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of 7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 59646514) is 7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for 7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for 7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is Cc1nc(Cl)c2nc(Nc3ncccc3C)sc2n1.
What is the InChIKey of 7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is WRSZJYAUBUNOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5S/c1-6-4-3-5-14-10(6)18-12-17-8-9(13)15-7(2)16-11(8)19-12/h3-5H,1-2H3,(H,14,17,18).
What are the key properties of 7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 291.77 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-N-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 59646514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).