2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane

C12H23NS — CID 143290404

IUPAC2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane
SMILESCC.CC1CCC1.Cc1csc(C)n1
InChIInChI=1S/C5H7NS.C5H10.C2H6/c1-4-3-7-5(2)6-4;1-5-3-2-4-5;1-2/h3H,1-2H3;5H,2-4H2,1H3;1-2H3
InChIKeyIILCOXXOJHGPTM-UHFFFAOYSA-N
MW213.39 g/mol
LogP4.59
Rot. Bonds

About 2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane

2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane (PubChem CID 143290404) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane.

Molecular Properties

Compound Name2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane
PubChem CID143290404
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane
SMILESCC.CC1CCC1.Cc1csc(C)n1
InChIInChI=1S/C5H7NS.C5H10.C2H6/c1-4-3-7-5(2)6-4;1-5-3-2-4-5;1-2/h3H,1-2H3;5H,2-4H2,1H3;1-2H3
InChIKeyIILCOXXOJHGPTM-UHFFFAOYSA-N
XLogP4.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-1,3-thiazole;octane
CID 145323781
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
N-[(3-methylcyclohexyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103883909
N-cyclopentyl-4-methyl-1,3-thiazol-2-amine;molecular hydrogen
CID 142956868
cyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 83684011
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965
4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
CID 65084804
N-cyclohexyl-4-methyl-1,3-thiazol-2-amine;molecular hydrogen
CID 143290399
N-(2,3-dimethylcyclopentyl)-4-methyl-1,3-thiazol-2-amine
CID 64922035
4-methyl-N-(2-methylcyclopropyl)-1,3-thiazol-2-amine
CID 62396960
trans-(1S,2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentan-1-ol
CID 102735669

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane?
The IUPAC name of 2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane (CID 143290404) is 2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane.
What is the SMILES notation for 2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane?
The canonical SMILES for 2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane is CC.CC1CCC1.Cc1csc(C)n1.
What is the InChIKey of 2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane?
The InChIKey is IILCOXXOJHGPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.C5H10.C2H6/c1-4-3-7-5(2)6-4;1-5-3-2-4-5;1-2/h3H,1-2H3;5H,2-4H2,1H3;1-2H3.
What are the key properties of 2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane?
2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane has a molecular weight of 213.39 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane is sourced from PubChem (CID 143290404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).