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

C16H30N4S — CID 62768705

IUPAC4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)C2CCCN(C)C2)nc1CC
InChIInChI=1S/C16H30N4S/c1-5-9-17-11-15-14(6-2)18-16(21-15)20(4)13-8-7-10-19(3)12-13/h13,17H,5-12H2,1-4H3
InChIKeyLFZUVFSWULOQPA-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.74
Rot. Bonds7

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

4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62768705) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62768705
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC Name4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)C2CCCN(C)C2)nc1CC
InChIInChI=1S/C16H30N4S/c1-5-9-17-11-15-14(6-2)18-16(21-15)20(4)13-8-7-10-19(3)12-13/h13,17H,5-12H2,1-4H3
InChIKeyLFZUVFSWULOQPA-UHFFFAOYSA-N
XLogP2.74
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.74
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

4-ethyl-N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 62768533
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768706
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 107509926
[2-[methyl-(1-methylpiperidin-3-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62779327
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 63917164
N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63940677
N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395531
N-cyclohexyl-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62764625
4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 82754026
4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine
CID 63519386
[4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol
CID 80692409
N,1-dimethyl-N-[2-(propylaminomethyl)phenyl]piperidin-3-amine
CID 62545562

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 62768705) is 4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(C)C2CCCN(C)C2)nc1CC.
What is the InChIKey of 4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is LFZUVFSWULOQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-5-9-17-11-15-14(6-2)18-16(21-15)20(4)13-8-7-10-19(3)12-13/h13,17H,5-12H2,1-4H3.
What are the key properties of 4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 310.51 g/mol, XLogP of 2.74, 7 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-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).