2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole

C9H8ClN3S2 — CID 130992507

IUPAC2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole
SMILESCCc1csc(Sc2cc(Cl)ncn2)n1
InChIInChI=1S/C9H8ClN3S2/c1-2-6-4-14-9(13-6)15-8-3-7(10)11-5-12-8/h3-5H,2H2,1H3
InChIKeyNKGQBCLJXGEPRE-UHFFFAOYSA-N
MW257.77 g/mol
LogP3.30
Rot. Bonds3

About 2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole

2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole (PubChem CID 130992507) has the molecular formula C9H8ClN3S2 and a molecular weight of 257.77 g/mol. Its IUPAC name is 2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole
PubChem CID130992507
Molecular FormulaC9H8ClN3S2
Molecular Weight257.77 g/mol
Exact Mass256.98
IUPAC Name2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole
SMILESCCc1csc(Sc2cc(Cl)ncn2)n1
InChIInChI=1S/C9H8ClN3S2/c1-2-6-4-14-9(13-6)15-8-3-7(10)11-5-12-8/h3-5H,2H2,1H3
InChIKeyNKGQBCLJXGEPRE-UHFFFAOYSA-N
XLogP3.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-4-ethyl-1,3-thiazole
CID 130758456
2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 115280336
4-chloro-6-thiophen-2-ylsulfanylpyrimidine
CID 61279172
2-(6-chloropyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 60726972
4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine
CID 61280001
4-chloro-6-naphthalen-2-ylsulfanylpyrimidine
CID 61277554
2-(3-chloro-2-methylpropyl)sulfanyl-4-ethyl-1,3-thiazole
CID 66106004
4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine
CID 61279581
4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid
CID 79140164
4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazole
CID 146205158
2-[2-[(6-oxo-1H-pyrimidin-4-yl)sulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 114574041
2-(2-chloro-3-pyridinyl)-4-ethyl-1,3-thiazole
CID 97058354

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole?
The IUPAC name of 2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole (CID 130992507) is 2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole.
What is the SMILES notation for 2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole?
The canonical SMILES for 2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole is CCc1csc(Sc2cc(Cl)ncn2)n1.
What is the InChIKey of 2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole?
The InChIKey is NKGQBCLJXGEPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S2/c1-2-6-4-14-9(13-6)15-8-3-7(10)11-5-12-8/h3-5H,2H2,1H3.
What are the key properties of 2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole?
2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole has a molecular weight of 257.77 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole is sourced from PubChem (CID 130992507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).