N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C15H28N4OS — CID 107509491

IUPACN-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCCN(C)CC2)nc1COC
InChIInChI=1S/C15H28N4OS/c1-4-6-16-11-14-13(12-20-3)17-15(21-14)19-8-5-7-18(2)9-10-19/h16H,4-12H2,1-3H3
InChIKeyRELZDGGQNHQWSC-UHFFFAOYSA-N
MW312.48 g/mol
LogP1.93
Rot. Bonds7

About N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 107509491) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID107509491
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC NameN-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCCN(C)CC2)nc1COC
InChIInChI=1S/C15H28N4OS/c1-4-6-16-11-14-13(12-20-3)17-15(21-14)19-8-5-7-18(2)9-10-19/h16H,4-12H2,1-3H3
InChIKeyRELZDGGQNHQWSC-UHFFFAOYSA-N
XLogP1.93
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-(methoxymethyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366314
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107510301
N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107509532
N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441911
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107509520
N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107510551
N-[[2-(azepan-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62765034
N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82441943
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510302
2-[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 82441915
N-[[4-ethyl-2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967451
[2-(4-methyl-1,4-diazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62766388

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 107509491) is N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(N2CCCN(C)CC2)nc1COC.
What is the InChIKey of N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is RELZDGGQNHQWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-4-6-16-11-14-13(12-20-3)17-15(21-14)19-8-5-7-18(2)9-10-19/h16H,4-12H2,1-3H3.
What are the key properties of N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 312.48 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 107509491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).