(1R)-N,2-dimethyl-1-[4-(10H-phenoxazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine

C20H21N3OS — CID 67214216

IUPAC(1R)-N,2-dimethyl-1-[4-(10H-phenoxazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCN[C@@H](c1nc(-c2ccc3c(c2)Nc2ccccc2O3)cs1)C(C)C
InChIInChI=1S/C20H21N3OS/c1-12(2)19(21-3)20-23-16(11-25-20)13-8-9-18-15(10-13)22-14-6-4-5-7-17(14)24-18/h4-12,19,21-22H,1-3H3/t19-/m1/s1
InChIKeyDSARFGYPDZJHST-LJQANCHMSA-N
MW351.48 g/mol
LogP5.58
Rot. Bonds4

About (1R)-N,2-dimethyl-1-[4-(10H-phenoxazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine

(1R)-N,2-dimethyl-1-[4-(10H-phenoxazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 67214216) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is (1R)-N,2-dimethyl-1-[4-(10H-phenoxazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-N,2-dimethyl-1-[4-(10H-phenoxazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID67214216
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name(1R)-N,2-dimethyl-1-[4-(10H-phenoxazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCN[C@@H](c1nc(-c2ccc3c(c2)Nc2ccccc2O3)cs1)C(C)C
InChIInChI=1S/C20H21N3OS/c1-12(2)19(21-3)20-23-16(11-25-20)13-8-9-18-15(10-13)22-14-6-4-5-7-17(14)24-18/h4-12,19,21-22H,1-3H3/t19-/m1/s1
InChIKeyDSARFGYPDZJHST-LJQANCHMSA-N
XLogP5.58
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.48
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-N,2-dimethyl-1-[4-(10H-phenoxazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of (1R)-N,2-dimethyl-1-[4-(10H-phenoxazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine (CID 67214216) is (1R)-N,2-dimethyl-1-[4-(10H-phenoxazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for (1R)-N,2-dimethyl-1-[4-(10H-phenoxazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for (1R)-N,2-dimethyl-1-[4-(10H-phenoxazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine is CN[C@@H](c1nc(-c2ccc3c(c2)Nc2ccccc2O3)cs1)C(C)C.
What is the InChIKey of (1R)-N,2-dimethyl-1-[4-(10H-phenoxazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is DSARFGYPDZJHST-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-12(2)19(21-3)20-23-16(11-25-20)13-8-9-18-15(10-13)22-14-6-4-5-7-17(14)24-18/h4-12,19,21-22H,1-3H3/t19-/m1/s1.
What are the key properties of (1R)-N,2-dimethyl-1-[4-(10H-phenoxazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
(1R)-N,2-dimethyl-1-[4-(10H-phenoxazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 351.48 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,2-dimethyl-1-[4-(10H-phenoxazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 67214216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).