ethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine

C16H30N4S — CID 176693410

IUPACethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine
SMILESCC.CCc1cn(C)nc1CN.CCc1nc(C)c(C)s1
InChIInChI=1S/C7H13N3.C7H11NS.C2H6/c1-3-6-5-10(2)9-7(6)4-8;1-4-7-8-5(2)6(3)9-7;1-2/h5H,3-4,8H2,1-2H3;4H2,1-3H3;1-2H3
InChIKeyGLGJCYBALLCBDL-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.79
Rot. Bonds3

About ethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine

ethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine (PubChem CID 176693410) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is ethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Nameethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine
PubChem CID176693410
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC Nameethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine
SMILESCC.CCc1cn(C)nc1CN.CCc1nc(C)c(C)s1
InChIInChI=1S/C7H13N3.C7H11NS.C2H6/c1-3-6-5-10(2)9-7(6)4-8;1-4-7-8-5(2)6(3)9-7;1-2/h5H,3-4,8H2,1-2H3;4H2,1-3H3;1-2H3
InChIKeyGLGJCYBALLCBDL-UHFFFAOYSA-N
XLogP3.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine?
The IUPAC name of ethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine (CID 176693410) is ethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for ethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for ethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine is CC.CCc1cn(C)nc1CN.CCc1nc(C)c(C)s1.
What is the InChIKey of ethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine?
The InChIKey is GLGJCYBALLCBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.C7H11NS.C2H6/c1-3-6-5-10(2)9-7(6)4-8;1-4-7-8-5(2)6(3)9-7;1-2/h5H,3-4,8H2,1-2H3;4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine?
ethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine has a molecular weight of 310.51 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4,5-dimethyl-1,3-thiazole;(4-ethyl-1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 176693410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).