ethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole

C10H13N3OS2 — CID 90793423

IUPACethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole
SMILESCC.CS(=O)c1nccc(-c2cscn2)n1
InChIInChI=1S/C8H7N3OS2.C2H6/c1-14(12)8-9-3-2-6(11-8)7-4-13-5-10-7;1-2/h2-5H,1H3;1-2H3
InChIKeyDUCKWXPHKYDRNY-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.36
Rot. Bonds2

About ethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole

ethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole (PubChem CID 90793423) has the molecular formula C10H13N3OS2 and a molecular weight of 255.37 g/mol. Its IUPAC name is ethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole
PubChem CID90793423
Molecular FormulaC10H13N3OS2
Molecular Weight255.37 g/mol
Exact Mass255.05
IUPAC Nameethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole
SMILESCC.CS(=O)c1nccc(-c2cscn2)n1
InChIInChI=1S/C8H7N3OS2.C2H6/c1-14(12)8-9-3-2-6(11-8)7-4-13-5-10-7;1-2/h2-5H,1H3;1-2H3
InChIKeyDUCKWXPHKYDRNY-UHFFFAOYSA-N
XLogP2.36
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethylpyrimidin-4-yl)-1,3-thiazole
CID 160538111
benzene;ethane;4-(2-ethylpyrimidin-4-yl)-1,3-thiazole
CID 160538110
5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 169291422
4-(4-methyl-2-pyridinyl)-1,3-thiazole
CID 131134487
4-methylsulfinyl-1,3-thiazole
CID 154436442
4-(4-ethylphenyl)-1,3-thiazole
CID 3919361
4-(4-fluorophenyl)-5-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 15604480
N-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine
CID 58808796
4-(1H-pyrrol-3-yl)-1,3-thiazole
CID 118537050
3-(2-methylsulfanylpyrimidin-4-yl)-5-(2-methylsulfinylpyrimidin-4-yl)benzoic acid
CID 167248758
4-[3-tert-butyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methylsulfinylpyrimidine
CID 69243247
4-(3,4,5-trimethylphenyl)-1,3-thiazole
CID 174513001

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole?
The IUPAC name of ethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole (CID 90793423) is ethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole.
What is the SMILES notation for ethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole?
The canonical SMILES for ethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole is CC.CS(=O)c1nccc(-c2cscn2)n1.
What is the InChIKey of ethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole?
The InChIKey is DUCKWXPHKYDRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS2.C2H6/c1-14(12)8-9-3-2-6(11-8)7-4-13-5-10-7;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole?
ethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole has a molecular weight of 255.37 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 90793423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).