N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine

C12H20N2OS — CID 115627607

IUPACN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine
SMILESCC(C)c1cc(CNC2CCSCC2)on1
InChIInChI=1S/C12H20N2OS/c1-9(2)12-7-11(15-14-12)8-13-10-3-5-16-6-4-10/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyRENYXACVRZJJDC-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.78
Rot. Bonds4

About N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine

N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine (PubChem CID 115627607) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine.

Molecular Properties

Compound NameN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine
PubChem CID115627607
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine
SMILESCC(C)c1cc(CNC2CCSCC2)on1
InChIInChI=1S/C12H20N2OS/c1-9(2)12-7-11(15-14-12)8-13-10-3-5-16-6-4-10/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyRENYXACVRZJJDC-UHFFFAOYSA-N
XLogP2.78
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine
CID 25220772
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
CID 60712181
(1S,6R)-6-[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]cyclohex-3-ene-1-carboxylic acid
CID 167929344
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine
CID 115720213
1-methoxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]propan-2-amine
CID 115720217
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]thian-4-amine
CID 115614407
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111618886
1-[(3-hydroxycyclohexyl)methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111506323
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine
CID 115654524
N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine
CID 103766021
N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine
CID 103864382
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]cyclohexanamine
CID 126837976

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine?
The IUPAC name of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine (CID 115627607) is N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine.
What is the SMILES notation for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine?
The canonical SMILES for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine is CC(C)c1cc(CNC2CCSCC2)on1.
What is the InChIKey of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine?
The InChIKey is RENYXACVRZJJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)12-7-11(15-14-12)8-13-10-3-5-16-6-4-10/h7,9-10,13H,3-6,8H2,1-2H3.
What are the key properties of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine?
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine has a molecular weight of 240.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thian-4-amine is sourced from PubChem (CID 115627607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).