6-benzyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine

C17H14N4S2 — CID 45275717

IUPAC6-benzyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)n1
InChIInChI=1S/C17H14N4S2/c1-10-9-22-17(19-10)15-20-14(18)13-8-12(23-16(13)21-15)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H2,18,20,21)
InChIKeyCGLAAXXKQBXPQP-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.30
Rot. Bonds3

About 6-benzyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-benzyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275717) has the molecular formula C17H14N4S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 6-benzyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45275717
Molecular FormulaC17H14N4S2
Molecular Weight338.46 g/mol
Exact Mass338.07
IUPAC Name6-benzyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)n1
InChIInChI=1S/C17H14N4S2/c1-10-9-22-17(19-10)15-20-14(18)13-8-12(23-16(13)21-15)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H2,18,20,21)
InChIKeyCGLAAXXKQBXPQP-UHFFFAOYSA-N
XLogP4.30
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45275717) is 6-benzyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1csc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)n1.
What is the InChIKey of 6-benzyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CGLAAXXKQBXPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S2/c1-10-9-22-17(19-10)15-20-14(18)13-8-12(23-16(13)21-15)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H2,18,20,21).
What are the key properties of 6-benzyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-benzyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 338.46 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).