ethane;3-methyl-2H-1,3-thiazole

C6H13NS — CID 91097052

IUPACethane;3-methyl-2H-1,3-thiazole
SMILESCC.CN1C=CSC1
InChIInChI=1S/C4H7NS.C2H6/c1-5-2-3-6-4-5;1-2/h2-3H,4H2,1H3;1-2H3
InChIKeyKZCQNLSOSADTKJ-UHFFFAOYSA-N
MW131.24 g/mol
LogP2.12
Rot. Bonds

About ethane;3-methyl-2H-1,3-thiazole

ethane;3-methyl-2H-1,3-thiazole (PubChem CID 91097052) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is ethane;3-methyl-2H-1,3-thiazole.

Molecular Properties

Compound Nameethane;3-methyl-2H-1,3-thiazole
PubChem CID91097052
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Nameethane;3-methyl-2H-1,3-thiazole
SMILESCC.CN1C=CSC1
InChIInChI=1S/C4H7NS.C2H6/c1-5-2-3-6-4-5;1-2/h2-3H,4H2,1H3;1-2H3
InChIKeyKZCQNLSOSADTKJ-UHFFFAOYSA-N
XLogP2.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2(3H)-Thiazolethione, 3-methyl-
CID 138563
3-Methyl-thiazole
CID 15407522
3-(3-fluoropropyl)-2H-1,3-thiazole
CID 140972978
3-(3-Fluoropropyl)-2-methylidene-1,3-thiazole
CID 141829740
2-fluoro-3-methyl-2H-1,3-thiazole
CID 172765522
3-Methyl-1,2-didehydro-1,3-thiazole
CID 101146457
3-Tributylstannylthiazole
CID 129859914
3-Ethyl-1,2-didehydro-1,3-thiazole
CID 164679965
Xemljnlycnpyiu-aatrikpksa-
CID 23264363
3-Ethyl-1,3-thiazole-2-thione
CID 13828868
2-(2H-1,3-thiazol-3-yl)ethanethiol
CID 17821130
3-ethyl-2H-1,3-thiazole
CID 18381193

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2H-1,3-thiazole?
The IUPAC name of ethane;3-methyl-2H-1,3-thiazole (CID 91097052) is ethane;3-methyl-2H-1,3-thiazole.
What is the SMILES notation for ethane;3-methyl-2H-1,3-thiazole?
The canonical SMILES for ethane;3-methyl-2H-1,3-thiazole is CC.CN1C=CSC1.
What is the InChIKey of ethane;3-methyl-2H-1,3-thiazole?
The InChIKey is KZCQNLSOSADTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS.C2H6/c1-5-2-3-6-4-5;1-2/h2-3H,4H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-2H-1,3-thiazole?
ethane;3-methyl-2H-1,3-thiazole has a molecular weight of 131.24 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2H-1,3-thiazole is sourced from PubChem (CID 91097052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).