N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine

C16H31N3S — CID 82433104

IUPACN-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(CCN(CC)CC)nc1CCC
InChIInChI=1S/C16H31N3S/c1-5-9-14-15(13-17-11-6-2)20-16(18-14)10-12-19(7-3)8-4/h17H,5-13H2,1-4H3
InChIKeyUCIPIIRBVAXOOY-UHFFFAOYSA-N
MW297.51 g/mol
LogP3.48
Rot. Bonds11

About N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 82433104) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID82433104
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC NameN-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(CCN(CC)CC)nc1CCC
InChIInChI=1S/C16H31N3S/c1-5-9-14-15(13-17-11-6-2)20-16(18-14)10-12-19(7-3)8-4/h17H,5-13H2,1-4H3
InChIKeyUCIPIIRBVAXOOY-UHFFFAOYSA-N
XLogP3.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 53.48
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-[[2-[2-(diethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82430672
N-[[2-[(dimethylamino)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432874
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432837
N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 62403200
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150617
N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431543
N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63514625
N,N,N'-trimethyl-N'-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
CID 63727753
N-[[2-(morpholin-4-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82433026
N-[(2-ethyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431279
N-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61281052
N-[[2-[(2-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363967

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 82433104) is N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(CCN(CC)CC)nc1CCC.
What is the InChIKey of N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is UCIPIIRBVAXOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-5-9-14-15(13-17-11-6-2)20-16(18-14)10-12-19(7-3)8-4/h17H,5-13H2,1-4H3.
What are the key properties of N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 297.51 g/mol, XLogP of 3.48, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 82433104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).