4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine

C15H29N3OS — CID 43746141

IUPAC4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCCCCCC(C)NCc1sc(N(C)C)nc1OC
InChIInChI=1S/C15H29N3OS/c1-6-7-8-9-10-12(2)16-11-13-14(19-5)17-15(20-13)18(3)4/h12,16H,6-11H2,1-5H3
InChIKeyHSGJMJUPKBQQHD-UHFFFAOYSA-N
MW299.48 g/mol
LogP3.67
Rot. Bonds10

About 4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine

4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 43746141) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID43746141
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC Name4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCCCCCC(C)NCc1sc(N(C)C)nc1OC
InChIInChI=1S/C15H29N3OS/c1-6-7-8-9-10-12(2)16-11-13-14(19-5)17-15(20-13)18(3)4/h12,16H,6-11H2,1-5H3
InChIKeyHSGJMJUPKBQQHD-UHFFFAOYSA-N
XLogP3.67
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 53.67
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

2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945684
N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 115600536
5-[(dicyclopropylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665172
4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine
CID 81351809
5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 82710285
5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 64569644
4-methoxy-N,N-dimethyl-5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 43703306
4-methoxy-N,N-dimethyl-5-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 106209370
1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43665203
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79358881
5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 82430873
5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665239

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 43746141) is 4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine is CCCCCCC(C)NCc1sc(N(C)C)nc1OC.
What is the InChIKey of 4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is HSGJMJUPKBQQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-6-7-8-9-10-12(2)16-11-13-14(19-5)17-15(20-13)18(3)4/h12,16H,6-11H2,1-5H3.
What are the key properties of 4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine?
4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 299.48 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43746141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).