4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen

C8H15NS — CID 177333025

IUPAC4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen
SMILESC=C1NC(C)=C(CCC)S1.[H][H]
InChIInChI=1S/C8H13NS.H2/c1-4-5-8-6(2)9-7(3)10-8;/h9H,3-5H2,1-2H3;1H
InChIKeyNFMXGPVOUJOKQV-UHFFFAOYSA-N
MW157.28 g/mol
LogP3.07
Rot. Bonds2

About 4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen

4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen (PubChem CID 177333025) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen.

Molecular Properties

Compound Name4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen
PubChem CID177333025
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen
SMILESC=C1NC(C)=C(CCC)S1.[H][H]
InChIInChI=1S/C8H13NS.H2/c1-4-5-8-6(2)9-7(3)10-8;/h9H,3-5H2,1-2H3;1H
InChIKeyNFMXGPVOUJOKQV-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen?
The IUPAC name of 4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen (CID 177333025) is 4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen.
What is the SMILES notation for 4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen?
The canonical SMILES for 4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen is C=C1NC(C)=C(CCC)S1.[H][H].
What is the InChIKey of 4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen?
The InChIKey is NFMXGPVOUJOKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS.H2/c1-4-5-8-6(2)9-7(3)10-8;/h9H,3-5H2,1-2H3;1H.
What are the key properties of 4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen?
4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen has a molecular weight of 157.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidene-5-propyl-3H-1,3-thiazole;molecular hydrogen is sourced from PubChem (CID 177333025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).