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

C13H22N2OS — CID 115090291

IUPACN-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCNCCCc1cnc(CC2CCOCC2)s1
InChIInChI=1S/C13H22N2OS/c1-14-6-2-3-12-10-15-13(17-12)9-11-4-7-16-8-5-11/h10-11,14H,2-9H2,1H3
InChIKeyJFCDQPYEKJMICP-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.26
Rot. Bonds6

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

N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 115090291) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID115090291
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCNCCCc1cnc(CC2CCOCC2)s1
InChIInChI=1S/C13H22N2OS/c1-14-6-2-3-12-10-15-13(17-12)9-11-4-7-16-8-5-11/h10-11,14H,2-9H2,1H3
InChIKeyJFCDQPYEKJMICP-UHFFFAOYSA-N
XLogP2.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.26
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

5-Thiazolepropanol, 2-methyl-, methylcarbamate (ester)
CID 3042848
5-(Oxan-4-yl)-1,3-thiazol-2-amine
CID 86619050
2-Bromo-5-(oxan-4-yl)-1,3-thiazole
CID 115046263
2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine
CID 97103233
4-Fluoro-4-(methoxymethyl)-5-(1,3-thiazol-5-yl)pentan-1-amine
CID 103392640
4-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]oxan-4-amine
CID 106782368
N-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106783324
N-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783325
N-[oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106783327
N-[oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783328
N-(2-methoxyethyl)-2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106784180
N-ethyl-3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106785122

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 115090291) is N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine is CNCCCc1cnc(CC2CCOCC2)s1.
What is the InChIKey of N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is JFCDQPYEKJMICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-14-6-2-3-12-10-15-13(17-12)9-11-4-7-16-8-5-11/h10-11,14H,2-9H2,1H3.
What are the key properties of N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine?
N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115090291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).