N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine

C11H20N2OS — CID 82940582

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1csc(C)n1
InChIInChI=1S/C11H20N2OS/c1-3-6-14-7-4-5-12-8-11-9-15-10(2)13-11/h9,12H,3-8H2,1-2H3
InChIKeyKWNGCXFKBRBUKL-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.36
Rot. Bonds8

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine (PubChem CID 82940582) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine
PubChem CID82940582
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1csc(C)n1
InChIInChI=1S/C11H20N2OS/c1-3-6-14-7-4-5-12-8-11-9-15-10(2)13-11/h9,12H,3-8H2,1-2H3
InChIKeyKWNGCXFKBRBUKL-UHFFFAOYSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.36
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

3-cyclohexyloxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 28781680
3-ethylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 65093047
N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045200
2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104931936
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
CID 61485001
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide
CID 106235728
N'-butyl-N'-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 115623262
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl carbamate
CID 83211307
N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide
CID 115595237
3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115576823
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine
CID 82941408

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine (CID 82940582) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine is CCCOCCCNCc1csc(C)n1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine?
The InChIKey is KWNGCXFKBRBUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-6-14-7-4-5-12-8-11-9-15-10(2)13-11/h9,12H,3-8H2,1-2H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine has a molecular weight of 228.36 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine is sourced from PubChem (CID 82940582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).