1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine

C16H26N2OS — CID 129001955

IUPAC1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCC(C)(C)[C@H]1OCC[C@@H]1CNCc1csc(C2CC2)n1
InChIInChI=1S/C16H26N2OS/c1-16(2,3)14-12(6-7-19-14)8-17-9-13-10-20-15(18-13)11-4-5-11/h10-12,14,17H,4-9H2,1-3H3/t12-,14+/m1/s1
InChIKeyYUVPRUVHHLFIIZ-OCCSQVGLSA-N
MW294.46 g/mol
LogP3.56
Rot. Bonds5

About 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine

1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 129001955) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID129001955
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCC(C)(C)[C@H]1OCC[C@@H]1CNCc1csc(C2CC2)n1
InChIInChI=1S/C16H26N2OS/c1-16(2,3)14-12(6-7-19-14)8-17-9-13-10-20-15(18-13)11-4-5-11/h10-12,14,17H,4-9H2,1-3H3/t12-,14+/m1/s1
InChIKeyYUVPRUVHHLFIIZ-OCCSQVGLSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(thiadiazol-4-ylmethyl)methanamine
CID 129002634
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 129005255
3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115639509
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 115690921
1-(2-cyclopropyl-1,3-thiazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 115625726
N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116888553
1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 129001468
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 154769536
1-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425440
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-methylbutan-2-amine
CID 115625561
N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 65328319

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine (CID 129001955) is 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine is CC(C)(C)[C@H]1OCC[C@@H]1CNCc1csc(C2CC2)n1.
What is the InChIKey of 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is YUVPRUVHHLFIIZ-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-16(2,3)14-12(6-7-19-14)8-17-9-13-10-20-15(18-13)11-4-5-11/h10-12,14,17H,4-9H2,1-3H3/t12-,14+/m1/s1.
What are the key properties of 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine?
1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 294.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 129001955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).