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

C18H14N4S2 — CID 45275714

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESC=C(c1ccccc1)c1cc2c(N)nc(-c3nc(C)cs3)nc2s1
InChIInChI=1S/C18H14N4S2/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/h3-9H,2H2,1H3,(H2,19,21,22)
InChIKeyDFBNAUSKOWYPSJ-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.77
Rot. Bonds3

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

2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275714) has the molecular formula C18H14N4S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45275714
Molecular FormulaC18H14N4S2
Molecular Weight350.47 g/mol
Exact Mass350.07
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESC=C(c1ccccc1)c1cc2c(N)nc(-c3nc(C)cs3)nc2s1
InChIInChI=1S/C18H14N4S2/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/h3-9H,2H2,1H3,(H2,19,21,22)
InChIKeyDFBNAUSKOWYPSJ-UHFFFAOYSA-N
XLogP4.77
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.77
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-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine (CID 45275714) is 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine is C=C(c1ccccc1)c1cc2c(N)nc(-c3nc(C)cs3)nc2s1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DFBNAUSKOWYPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S2/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/h3-9H,2H2,1H3,(H2,19,21,22).
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine?
2-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 350.47 g/mol, XLogP of 4.77, 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-phenylethenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).