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

C11H8ClN3S2 — CID 55119649

IUPAC4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
SMILESCc1nc(Cc2nc(Cl)c3ccsc3n2)cs1
InChIInChI=1S/C11H8ClN3S2/c1-6-13-7(5-17-6)4-9-14-10(12)8-2-3-16-11(8)15-9/h2-3,5H,4H2,1H3
InChIKeyLQMSGNNZUOEZGB-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.70
Rot. Bonds2

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

4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine (PubChem CID 55119649) has the molecular formula C11H8ClN3S2 and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
PubChem CID55119649
Molecular FormulaC11H8ClN3S2
Molecular Weight281.79 g/mol
Exact Mass280.98
IUPAC Name4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
SMILESCc1nc(Cc2nc(Cl)c3ccsc3n2)cs1
InChIInChI=1S/C11H8ClN3S2/c1-6-13-7(5-17-6)4-9-14-10(12)8-2-3-16-11(8)15-9/h2-3,5H,4H2,1H3
InChIKeyLQMSGNNZUOEZGB-UHFFFAOYSA-N
XLogP3.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
CID 62800354
2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine
CID 119088627
4-[(4-chloro-5-iodopyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 66293677
4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 66292710
4-[(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 66294245
4-chloro-2-[(4,5-dimethylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidine
CID 62349675
4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62188989
4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 63479626
4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole
CID 66292433
4-chloro-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidine
CID 79187954
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112658823
4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62187776

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine (CID 55119649) is 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine is Cc1nc(Cc2nc(Cl)c3ccsc3n2)cs1.
What is the InChIKey of 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine?
The InChIKey is LQMSGNNZUOEZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S2/c1-6-13-7(5-17-6)4-9-14-10(12)8-2-3-16-11(8)15-9/h2-3,5H,4H2,1H3.
What are the key properties of 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine?
4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine has a molecular weight of 281.79 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 55119649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).