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

C18H16N4S2 — CID 45275818

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc(-c2nc(N)c3cc(C(C)c4ccccc4)sc3n2)n1
InChIInChI=1S/C18H16N4S2/c1-10-9-23-18(20-10)16-21-15(19)13-8-14(24-17(13)22-16)11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H2,19,21,22)
InChIKeyTZEFSFNRGUGGIZ-UHFFFAOYSA-N
MW352.49 g/mol
LogP4.86
Rot. Bonds3

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

2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275818) has the molecular formula C18H16N4S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45275818
Molecular FormulaC18H16N4S2
Molecular Weight352.49 g/mol
Exact Mass352.08
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc(-c2nc(N)c3cc(C(C)c4ccccc4)sc3n2)n1
InChIInChI=1S/C18H16N4S2/c1-10-9-23-18(20-10)16-21-15(19)13-8-14(24-17(13)22-16)11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H2,19,21,22)
InChIKeyTZEFSFNRGUGGIZ-UHFFFAOYSA-N
XLogP4.86
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 45275818) is 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1csc(-c2nc(N)c3cc(C(C)c4ccccc4)sc3n2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is TZEFSFNRGUGGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S2/c1-10-9-23-18(20-10)16-21-15(19)13-8-14(24-17(13)22-16)11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H2,19,21,22).
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 352.49 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).