[4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine

C13H23N3OS — CID 107510397

IUPAC[4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(N2CCCC(C)CC2)sc1CN
InChIInChI=1S/C13H23N3OS/c1-10-4-3-6-16(7-5-10)13-15-11(9-17-2)12(8-14)18-13/h10H,3-9,14H2,1-2H3
InChIKeyMBHWIJXZRAHNBQ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.37
Rot. Bonds4

About [4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine

[4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 107510397) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID107510397
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name[4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(N2CCCC(C)CC2)sc1CN
InChIInChI=1S/C13H23N3OS/c1-10-4-3-6-16(7-5-10)13-15-11(9-17-2)12(8-14)18-13/h10H,3-9,14H2,1-2H3
InChIKeyMBHWIJXZRAHNBQ-UHFFFAOYSA-N
XLogP2.37
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine 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

4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 107509111
[2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510564
[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510269
[4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63627381
[4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 107510048
[4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82441546
[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510725
N-[[2-(4-methylazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63627201
[4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 107510392
[2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510369
2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 63627730
[4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62765484

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine (CID 107510397) is [4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine is COCc1nc(N2CCCC(C)CC2)sc1CN.
What is the InChIKey of [4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is MBHWIJXZRAHNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10-4-3-6-16(7-5-10)13-15-11(9-17-2)12(8-14)18-13/h10H,3-9,14H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 269.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 107510397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).