4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine

C15H29N3S2 — CID 115987962

IUPAC4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)C(CC)CSC)nc1CC
InChIInChI=1S/C15H29N3S2/c1-6-9-16-10-14-13(8-3)17-15(20-14)18(4)12(7-2)11-19-5/h12,16H,6-11H2,1-5H3
InChIKeyCEJCIXRYGSLGLF-UHFFFAOYSA-N
MW315.55 g/mol
LogP3.78
Rot. Bonds10

About 4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine

4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 115987962) has the molecular formula C15H29N3S2 and a molecular weight of 315.55 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID115987962
Molecular FormulaC15H29N3S2
Molecular Weight315.55 g/mol
Exact Mass315.18
IUPAC Name4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)C(CC)CSC)nc1CC
InChIInChI=1S/C15H29N3S2/c1-6-9-16-10-14-13(8-3)17-15(20-14)18(4)12(7-2)11-19-5/h12,16H,6-11H2,1-5H3
InChIKeyCEJCIXRYGSLGLF-UHFFFAOYSA-N
XLogP3.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 115987957
5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
CID 115987966
4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768109
4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510697
[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 112666546
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725686
4-ethyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767784
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63726893
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 62765369
4-ethyl-N-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768890
N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 115987996
4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
CID 112666494

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 115987962) is 4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(C)C(CC)CSC)nc1CC.
What is the InChIKey of 4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is CEJCIXRYGSLGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S2/c1-6-9-16-10-14-13(8-3)17-15(20-14)18(4)12(7-2)11-19-5/h12,16H,6-11H2,1-5H3.
What are the key properties of 4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 315.55 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 115987962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).