ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole

C11H20N4S — CID 143851892

IUPACethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
SMILESCC.CC.Cc1ncc(-c2ncn(C)n2)s1
InChIInChI=1S/C7H8N4S.2C2H6/c1-5-8-3-6(12-5)7-9-4-11(2)10-7;2*1-2/h3-4H,1-2H3;2*1-2H3
InChIKeySLCMZDGOWKHGHK-UHFFFAOYSA-N
MW240.38 g/mol
LogP3.30
Rot. Bonds1

About ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole

ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole (PubChem CID 143851892) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
PubChem CID143851892
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Nameethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
SMILESCC.CC.Cc1ncc(-c2ncn(C)n2)s1
InChIInChI=1S/C7H8N4S.2C2H6/c1-5-8-3-6(12-5)7-9-4-11(2)10-7;2*1-2/h3-4H,1-2H3;2*1-2H3
InChIKeySLCMZDGOWKHGHK-UHFFFAOYSA-N
XLogP3.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine
CID 134400324
2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole
CID 134530178
2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyrimidine
CID 134400321
ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 143737006
ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)pyridine
CID 143851802
1,3-dimethyl-1,2,4-triazole;ethane
CID 142553171
2,5-dimethyl-1,3-thiazole;ethane
CID 123921924
3-(4-chlorothiophen-3-yl)-1-methyl-1,2,4-triazole
CID 175704116
3-(2,6-dimethylphenyl)-1-methyl-1,2,4-triazole
CID 163359506
5-methyl-4-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carbaldehyde
CID 96616773
5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole
CID 67394717
3,5-dimethyl-2-(1-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 144979256

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole?
The IUPAC name of ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole (CID 143851892) is ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole.
What is the SMILES notation for ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole?
The canonical SMILES for ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole is CC.CC.Cc1ncc(-c2ncn(C)n2)s1.
What is the InChIKey of ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole?
The InChIKey is SLCMZDGOWKHGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S.2C2H6/c1-5-8-3-6(12-5)7-9-4-11(2)10-7;2*1-2/h3-4H,1-2H3;2*1-2H3.
What are the key properties of ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole?
ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole has a molecular weight of 240.38 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 143851892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).