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

C16H31N3S — CID 62768109

IUPAC4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)C(C)CC(C)C)nc1CC
InChIInChI=1S/C16H31N3S/c1-7-9-17-11-15-14(8-2)18-16(20-15)19(6)13(5)10-12(3)4/h12-13,17H,7-11H2,1-6H3
InChIKeyJIWNSJJOGDRWLC-UHFFFAOYSA-N
MW297.51 g/mol
LogP4.08
Rot. Bonds9

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

4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62768109) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62768109
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC Name4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)C(C)CC(C)C)nc1CC
InChIInChI=1S/C16H31N3S/c1-7-9-17-11-15-14(8-2)18-16(20-15)19(6)13(5)10-12(3)4/h12-13,17H,7-11H2,1-6H3
InChIKeyJIWNSJJOGDRWLC-UHFFFAOYSA-N
XLogP4.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 55117328
4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 115987962
4-ethyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767784
4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510697
N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 62768269
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'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725686
5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392937
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63726893
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 115987957
4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510230

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 62768109) is 4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(C)C(C)CC(C)C)nc1CC.
What is the InChIKey of 4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is JIWNSJJOGDRWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-7-9-17-11-15-14(8-2)18-16(20-15)19(6)13(5)10-12(3)4/h12-13,17H,7-11H2,1-6H3.
What are the key properties of 4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 297.51 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).