6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

C14H13N7OS — CID 177026966

IUPAC6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ncc2c(C(N)=O)c(N)n(-c3c(C)sc4cncn34)c2n1
InChIInChI=1S/C14H13N7OS/c1-6-14(20-5-17-4-9(20)23-6)21-11(15)10(12(16)22)8-3-18-7(2)19-13(8)21/h3-5H,15H2,1-2H3,(H2,16,22)
InChIKeyIXHWTIUFQLTRTA-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.43
Rot. Bonds2

About 6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 177026966) has the molecular formula C14H13N7OS and a molecular weight of 327.37 g/mol. Its IUPAC name is 6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID177026966
Molecular FormulaC14H13N7OS
Molecular Weight327.37 g/mol
Exact Mass327.09
IUPAC Name6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ncc2c(C(N)=O)c(N)n(-c3c(C)sc4cncn34)c2n1
InChIInChI=1S/C14H13N7OS/c1-6-14(20-5-17-4-9(20)23-6)21-11(15)10(12(16)22)8-3-18-7(2)19-13(8)21/h3-5H,15H2,1-2H3,(H2,16,22)
InChIKeyIXHWTIUFQLTRTA-UHFFFAOYSA-N
XLogP1.43
TPSA117.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 177026966) is 6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide is Cc1ncc2c(C(N)=O)c(N)n(-c3c(C)sc4cncn34)c2n1.
What is the InChIKey of 6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is IXHWTIUFQLTRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7OS/c1-6-14(20-5-17-4-9(20)23-6)21-11(15)10(12(16)22)8-3-18-7(2)19-13(8)21/h3-5H,15H2,1-2H3,(H2,16,22).
What are the key properties of 6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide?
6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-7-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 177026966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).