2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine

C9H5ClN4S3 — CID 103322977

IUPAC2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine
SMILESCc1nnc(Sc2nc(Cl)nc3sccc23)s1
InChIInChI=1S/C9H5ClN4S3/c1-4-13-14-9(16-4)17-7-5-2-3-15-6(5)11-8(10)12-7/h2-3H,1H3
InChIKeyCLJKMRPGKFOJPY-UHFFFAOYSA-N
MW300.82 g/mol
LogP3.66
Rot. Bonds2

About 2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine

2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine (PubChem CID 103322977) has the molecular formula C9H5ClN4S3 and a molecular weight of 300.82 g/mol. Its IUPAC name is 2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine
PubChem CID103322977
Molecular FormulaC9H5ClN4S3
Molecular Weight300.82 g/mol
Exact Mass299.94
IUPAC Name2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine
SMILESCc1nnc(Sc2nc(Cl)nc3sccc23)s1
InChIInChI=1S/C9H5ClN4S3/c1-4-13-14-9(16-4)17-7-5-2-3-15-6(5)11-8(10)12-7/h2-3H,1H3
InChIKeyCLJKMRPGKFOJPY-UHFFFAOYSA-N
XLogP3.66
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.82
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103334519
2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62870633
2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole
CID 18707717
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine
CID 91019805
2-(6-chloro-3-methylquinoxalin-2-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 22341086
2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 115383155
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 62481556
2-[6,7-dichloro-3-[(E)-2-thiophen-2-ylethenyl]quinoxalin-2-yl]sulfanyl-5-methyl-1,3,4-thiadiazole
CID 20821210
2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
CID 64624757
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 80978200
2-chloro-4-ethoxythieno[2,3-d]pyrimidine
CID 103319715
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248457

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine (CID 103322977) is 2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine is Cc1nnc(Sc2nc(Cl)nc3sccc23)s1.
What is the InChIKey of 2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The InChIKey is CLJKMRPGKFOJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4S3/c1-4-13-14-9(16-4)17-7-5-2-3-15-6(5)11-8(10)12-7/h2-3H,1H3.
What are the key properties of 2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine?
2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine has a molecular weight of 300.82 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 103322977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).