5-(4-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidine

C18H15N3S3 — CID 2214638

IUPAC5-(4-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidine
SMILESCc1ccc(-c2csc3ncnc(SCc4csc(C)n4)c23)cc1
InChIInChI=1S/C18H15N3S3/c1-11-3-5-13(6-4-11)15-9-24-18-16(15)17(19-10-20-18)23-8-14-7-22-12(2)21-14/h3-7,9-10H,8H2,1-2H3
InChIKeyQJVCSOGOTMMHQJ-UHFFFAOYSA-N
MW369.54 g/mol
LogP5.72
Rot. Bonds4

About 5-(4-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidine

5-(4-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidine (PubChem CID 2214638) has the molecular formula C18H15N3S3 and a molecular weight of 369.54 g/mol. Its IUPAC name is 5-(4-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidine
PubChem CID2214638
Molecular FormulaC18H15N3S3
Molecular Weight369.54 g/mol
Exact Mass369.04
IUPAC Name5-(4-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidine
SMILESCc1ccc(-c2csc3ncnc(SCc4csc(C)n4)c23)cc1
InChIInChI=1S/C18H15N3S3/c1-11-3-5-13(6-4-11)15-9-24-18-16(15)17(19-10-20-18)23-8-14-7-22-12(2)21-14/h3-7,9-10H,8H2,1-2H3
InChIKeyQJVCSOGOTMMHQJ-UHFFFAOYSA-N
XLogP5.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.54
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 725229
5-(4-chlorophenyl)-4-[(2,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine
CID 3803734
4-[(3-methoxyphenyl)methylsulfanyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
CID 2024163
1-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 7674173
4-[(2-methylphenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidine
CID 7674181
7-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42988983
6-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 39967246
N-(2-methylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 8714061
2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile
CID 7674256
N-(3-methylbutan-2-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 112785054
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-morpholin-4-ylethanone
CID 1191732
5-(4-methoxyphenyl)-4-prop-2-enylsulfanylthieno[2,3-d]pyrimidine
CID 7674257

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidine (CID 2214638) is 5-(4-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidine is Cc1ccc(-c2csc3ncnc(SCc4csc(C)n4)c23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidine?
The InChIKey is QJVCSOGOTMMHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S3/c1-11-3-5-13(6-4-11)15-9-24-18-16(15)17(19-10-20-18)23-8-14-7-22-12(2)21-14/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidine?
5-(4-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidine has a molecular weight of 369.54 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2214638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).