1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine

C16H21N3OS2 — CID 95342692

IUPAC1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESc1csc(-c2nc(CNC[C@@H]3CN(C4CC4)CCO3)cs2)c1
InChIInChI=1S/C16H21N3OS2/c1-2-15(21-7-1)16-18-12(11-22-16)8-17-9-14-10-19(5-6-20-14)13-3-4-13/h1-2,7,11,13-14,17H,3-6,8-10H2/t14-/m1/s1
InChIKeyDVUFMFZRLJBAAQ-CQSZACIVSA-N
MW335.50 g/mol
LogP2.82
Rot. Bonds6

About 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine

1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 95342692) has the molecular formula C16H21N3OS2 and a molecular weight of 335.50 g/mol. Its IUPAC name is 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID95342692
Molecular FormulaC16H21N3OS2
Molecular Weight335.50 g/mol
Exact Mass335.11
IUPAC Name1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESc1csc(-c2nc(CNC[C@@H]3CN(C4CC4)CCO3)cs2)c1
InChIInChI=1S/C16H21N3OS2/c1-2-15(21-7-1)16-18-12(11-22-16)8-17-9-14-10-19(5-6-20-14)13-3-4-13/h1-2,7,11,13-14,17H,3-6,8-10H2/t14-/m1/s1
InChIKeyDVUFMFZRLJBAAQ-CQSZACIVSA-N
XLogP2.82
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine (CID 95342692) is 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine is c1csc(-c2nc(CNC[C@@H]3CN(C4CC4)CCO3)cs2)c1.
What is the InChIKey of 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is DVUFMFZRLJBAAQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3OS2/c1-2-15(21-7-1)16-18-12(11-22-16)8-17-9-14-10-19(5-6-20-14)13-3-4-13/h1-2,7,11,13-14,17H,3-6,8-10H2/t14-/m1/s1.
What are the key properties of 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 335.50 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 95342692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).