N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine

C16H29N3OS — CID 62461115

IUPACN-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(CN(CCOC)C(C)C2CC2)cs1
InChIInChI=1S/C16H29N3OS/c1-4-7-17-10-16-18-15(12-21-16)11-19(8-9-20-3)13(2)14-5-6-14/h12-14,17H,4-11H2,1-3H3
InChIKeyOWLLAOHKQQDNPY-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.89
Rot. Bonds11

About N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine

N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 62461115) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID62461115
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(CN(CCOC)C(C)C2CC2)cs1
InChIInChI=1S/C16H29N3OS/c1-4-7-17-10-16-18-15(12-21-16)11-19(8-9-20-3)13(2)14-5-6-14/h12-14,17H,4-11H2,1-3H3
InChIKeyOWLLAOHKQQDNPY-UHFFFAOYSA-N
XLogP2.89
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62430675
N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 81067851
N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55073796
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62418324
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyrazin-2-amine
CID 66450066
N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62426511
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]oxan-4-amine
CID 62434020
N-[[4-[[cyclohexylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62411836
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62293320
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine
CID 62422802
N-[[4-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 63705658
N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62429112

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 62461115) is N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is CCCNCc1nc(CN(CCOC)C(C)C2CC2)cs1.
What is the InChIKey of N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is OWLLAOHKQQDNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-4-7-17-10-16-18-15(12-21-16)11-19(8-9-20-3)13(2)14-5-6-14/h12-14,17H,4-11H2,1-3H3.
What are the key properties of N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine?
N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 311.50 g/mol, XLogP of 2.89, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62461115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).