4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine

C13H12ClN3S2 — CID 55249726

IUPAC4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Cl)nc(Cc3nc(C)cs3)nc2s1
InChIInChI=1S/C13H12ClN3S2/c1-3-8-4-9-12(14)16-10(17-13(9)19-8)5-11-15-7(2)6-18-11/h4,6H,3,5H2,1-2H3
InChIKeyPATAIWCIIWTABI-UHFFFAOYSA-N
MW309.85 g/mol
LogP4.26
Rot. Bonds3

About 4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine

4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine (PubChem CID 55249726) has the molecular formula C13H12ClN3S2 and a molecular weight of 309.85 g/mol. Its IUPAC name is 4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine
PubChem CID55249726
Molecular FormulaC13H12ClN3S2
Molecular Weight309.85 g/mol
Exact Mass309.02
IUPAC Name4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Cl)nc(Cc3nc(C)cs3)nc2s1
InChIInChI=1S/C13H12ClN3S2/c1-3-8-4-9-12(14)16-10(17-13(9)19-8)5-11-15-7(2)6-18-11/h4,6H,3,5H2,1-2H3
InChIKeyPATAIWCIIWTABI-UHFFFAOYSA-N
XLogP4.26
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-chloro-6-ethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine
CID 65144576
6-ethyl-2-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103332853
4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 63868028
4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine
CID 82309139
6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 141266147
2-ethyl-4-methyl-1,3-thiazole
CID 27440
5,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 61026249
[6-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63614519
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
CID 63614537
6-ethyl-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 63560948
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63615784

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine (CID 55249726) is 4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine is CCc1cc2c(Cl)nc(Cc3nc(C)cs3)nc2s1.
What is the InChIKey of 4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine?
The InChIKey is PATAIWCIIWTABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S2/c1-3-8-4-9-12(14)16-10(17-13(9)19-8)5-11-15-7(2)6-18-11/h4,6H,3,5H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine?
4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine has a molecular weight of 309.85 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 55249726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).