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

C13H22N2OS — CID 114113294

IUPACN-[[3-(1,3-thiazol-5-ylmethyl)oxan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cncs2)CCCOC1
InChIInChI=1S/C13H22N2OS/c1-11(2)15-8-13(4-3-5-16-9-13)6-12-7-14-10-17-12/h7,10-11,15H,3-6,8-9H2,1-2H3
InChIKeyFLVSHCZFIWXTBG-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.48
Rot. Bonds5

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

N-[[3-(1,3-thiazol-5-ylmethyl)oxan-3-yl]methyl]propan-2-amine (PubChem CID 114113294) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[3-(1,3-thiazol-5-ylmethyl)oxan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(1,3-thiazol-5-ylmethyl)oxan-3-yl]methyl]propan-2-amine
PubChem CID114113294
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[[3-(1,3-thiazol-5-ylmethyl)oxan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cncs2)CCCOC1
InChIInChI=1S/C13H22N2OS/c1-11(2)15-8-13(4-3-5-16-9-13)6-12-7-14-10-17-12/h7,10-11,15H,3-6,8-9H2,1-2H3
InChIKeyFLVSHCZFIWXTBG-UHFFFAOYSA-N
XLogP2.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine
CID 97103233
N-ethyl-1-(1,3-thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148608
N-propyl-1-(1,3-thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148763
4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 103149364
4-(2,2-difluoroethoxy)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 103149976
4-Fluoro-4-(methoxymethyl)-5-(1,3-thiazol-5-yl)pentan-1-amine
CID 103392640
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
Oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783326
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-methyl-2-(oxan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783653

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,3-thiazol-5-ylmethyl)oxan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(1,3-thiazol-5-ylmethyl)oxan-3-yl]methyl]propan-2-amine (CID 114113294) is N-[[3-(1,3-thiazol-5-ylmethyl)oxan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(1,3-thiazol-5-ylmethyl)oxan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(1,3-thiazol-5-ylmethyl)oxan-3-yl]methyl]propan-2-amine is CC(C)NCC1(Cc2cncs2)CCCOC1.
What is the InChIKey of N-[[3-(1,3-thiazol-5-ylmethyl)oxan-3-yl]methyl]propan-2-amine?
The InChIKey is FLVSHCZFIWXTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-11(2)15-8-13(4-3-5-16-9-13)6-12-7-14-10-17-12/h7,10-11,15H,3-6,8-9H2,1-2H3.
What are the key properties of N-[[3-(1,3-thiazol-5-ylmethyl)oxan-3-yl]methyl]propan-2-amine?
N-[[3-(1,3-thiazol-5-ylmethyl)oxan-3-yl]methyl]propan-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,3-thiazol-5-ylmethyl)oxan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114113294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).