N-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine

C16H20N2OS — CID 123741269

IUPACN-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine
SMILESCNCC1(c2csc(-c3ccccc3)n2)CCOCC1
InChIInChI=1S/C16H20N2OS/c1-17-12-16(7-9-19-10-8-16)14-11-20-15(18-14)13-5-3-2-4-6-13/h2-6,11,17H,7-10,12H2,1H3
InChIKeyKGPGXHOLAZRRPB-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.08
Rot. Bonds4

About N-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine

N-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine (PubChem CID 123741269) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine
PubChem CID123741269
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine
SMILESCNCC1(c2csc(-c3ccccc3)n2)CCOCC1
InChIInChI=1S/C16H20N2OS/c1-17-12-16(7-9-19-10-8-16)14-11-20-15(18-14)13-5-3-2-4-6-13/h2-6,11,17H,7-10,12H2,1H3
InChIKeyKGPGXHOLAZRRPB-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine
CID 136988965
1-(4-benzyloxan-4-yl)-N-methylmethanamine
CID 62905192
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
4-(aminomethyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120924757
N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133399967
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
[4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxan-4-yl]methanol
CID 122560367
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110310238
N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine
CID 62596266
[1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol
CID 116891056
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine
CID 139582355

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine (CID 123741269) is N-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine is CNCC1(c2csc(-c3ccccc3)n2)CCOCC1.
What is the InChIKey of N-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine?
The InChIKey is KGPGXHOLAZRRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-17-12-16(7-9-19-10-8-16)14-11-20-15(18-14)13-5-3-2-4-6-13/h2-6,11,17H,7-10,12H2,1H3.
What are the key properties of N-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine?
N-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine has a molecular weight of 288.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 123741269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).