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

C18H16N4OS2 — CID 45275718

IUPAC6-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1Cc1cc2c(N)nc(-c3nc(C)cs3)nc2s1
InChIInChI=1S/C18H16N4OS2/c1-10-9-24-18(20-10)16-21-15(19)13-8-12(25-17(13)22-16)7-11-5-3-4-6-14(11)23-2/h3-6,8-9H,7H2,1-2H3,(H2,19,21,22)
InChIKeyPBOYDOVGTCZSGJ-UHFFFAOYSA-N
MW368.49 g/mol
LogP4.30
Rot. Bonds4

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

6-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275718) has the molecular formula C18H16N4OS2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45275718
Molecular FormulaC18H16N4OS2
Molecular Weight368.49 g/mol
Exact Mass368.08
IUPAC Name6-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccccc1Cc1cc2c(N)nc(-c3nc(C)cs3)nc2s1
InChIInChI=1S/C18H16N4OS2/c1-10-9-24-18(20-10)16-21-15(19)13-8-12(25-17(13)22-16)7-11-5-3-4-6-14(11)23-2/h3-6,8-9H,7H2,1-2H3,(H2,19,21,22)
InChIKeyPBOYDOVGTCZSGJ-UHFFFAOYSA-N
XLogP4.30
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45275718) is 6-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is COc1ccccc1Cc1cc2c(N)nc(-c3nc(C)cs3)nc2s1.
What is the InChIKey of 6-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PBOYDOVGTCZSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS2/c1-10-9-24-18(20-10)16-21-15(19)13-8-12(25-17(13)22-16)7-11-5-3-4-6-14(11)23-2/h3-6,8-9H,7H2,1-2H3,(H2,19,21,22).
What are the key properties of 6-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 368.49 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).