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

C13H25N3S — CID 61281052

IUPACN-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(CCN(CC)CC)n1
InChIInChI=1S/C13H25N3S/c1-4-8-14-10-12-11-17-13(15-12)7-9-16(5-2)6-3/h11,14H,4-10H2,1-3H3
InChIKeyIQPGKSVVCRPPJQ-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.53
Rot. Bonds9

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

N-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine (PubChem CID 61281052) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
PubChem CID61281052
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(CCN(CC)CC)n1
InChIInChI=1S/C13H25N3S/c1-4-8-14-10-12-11-17-13(15-12)7-9-16(5-2)6-3/h11,14H,4-10H2,1-3H3
InChIKeyIQPGKSVVCRPPJQ-UHFFFAOYSA-N
XLogP2.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82515371
N',N'-diethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 60727171
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 115591920
N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82433104
N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62430771
N-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 82515435
N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 82516475
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine
CID 62422802
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
N',N'-diethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 78992525
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62418324
3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid
CID 61009223

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine (CID 61281052) is N-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine is CCCNCc1csc(CCN(CC)CC)n1.
What is the InChIKey of N-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine?
The InChIKey is IQPGKSVVCRPPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-4-8-14-10-12-11-17-13(15-12)7-9-16(5-2)6-3/h11,14H,4-10H2,1-3H3.
What are the key properties of N-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine?
N-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine has a molecular weight of 255.43 g/mol, XLogP of 2.53, 9 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]-1,3-thiazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 61281052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).