N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine

C16H27N3OS — CID 95613045

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine
SMILESCC(C)(C)c1nc(CNC[C@H]2CN(C3CC3)CCO2)cs1
InChIInChI=1S/C16H27N3OS/c1-16(2,3)15-18-12(11-21-15)8-17-9-14-10-19(6-7-20-14)13-4-5-13/h11,13-14,17H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyGNJCSMZXKYRIQZ-AWEZNQCLSA-N
MW309.48 g/mol
LogP2.39
Rot. Bonds5

About N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine (PubChem CID 95613045) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine
PubChem CID95613045
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine
SMILESCC(C)(C)c1nc(CNC[C@H]2CN(C3CC3)CCO2)cs1
InChIInChI=1S/C16H27N3OS/c1-16(2,3)15-18-12(11-21-15)8-17-9-14-10-19(6-7-20-14)13-4-5-13/h11,13-14,17H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyGNJCSMZXKYRIQZ-AWEZNQCLSA-N
XLogP2.39
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine (CID 95613045) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine is CC(C)(C)c1nc(CNC[C@H]2CN(C3CC3)CCO2)cs1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine?
The InChIKey is GNJCSMZXKYRIQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-16(2,3)15-18-12(11-21-15)8-17-9-14-10-19(6-7-20-14)13-4-5-13/h11,13-14,17H,4-10H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine has a molecular weight of 309.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine is sourced from PubChem (CID 95613045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).