(2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol

C16H23N3OS — CID 103766281

IUPAC(2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol
SMILESCCN(CC)c1ncc(CN[C@@H](CO)c2ccccc2)s1
InChIInChI=1S/C16H23N3OS/c1-3-19(4-2)16-18-11-14(21-16)10-17-15(12-20)13-8-6-5-7-9-13/h5-9,11,15,17,20H,3-4,10,12H2,1-2H3/t15-/m0/s1
InChIKeyLRCOTPUDPAILTQ-HNNXBMFYSA-N
MW305.45 g/mol
LogP2.81
Rot. Bonds8

About (2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol

(2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol (PubChem CID 103766281) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is (2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol
PubChem CID103766281
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name(2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol
SMILESCCN(CC)c1ncc(CN[C@@H](CO)c2ccccc2)s1
InChIInChI=1S/C16H23N3OS/c1-3-19(4-2)16-18-11-14(21-16)10-17-15(12-20)13-8-6-5-7-9-13/h5-9,11,15,17,20H,3-4,10,12H2,1-2H3/t15-/m0/s1
InChIKeyLRCOTPUDPAILTQ-HNNXBMFYSA-N
XLogP2.81
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol
CID 43771096
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]propanoic acid
CID 54959823
N,N-diethyl-5-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine
CID 43769127
N,N-diethyl-5-[(1-pyridin-4-ylethylamino)methyl]-1,3-thiazol-2-amine
CID 43766835
5-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 119114085
N,N-diethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43761852
N,N-diethyl-5-[(2-methylsulfanylanilino)methyl]-1,3-thiazol-2-amine
CID 43780954
N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
CID 60777946
N,N-diethyl-5-[(5-methylhexan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43767177
2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 109380344
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide
CID 115870437
2-[5-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]acetic acid
CID 107862137

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol (CID 103766281) is (2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol is CCN(CC)c1ncc(CN[C@@H](CO)c2ccccc2)s1.
What is the InChIKey of (2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol?
The InChIKey is LRCOTPUDPAILTQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-3-19(4-2)16-18-11-14(21-16)10-17-15(12-20)13-8-6-5-7-9-13/h5-9,11,15,17,20H,3-4,10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of (2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol?
(2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol has a molecular weight of 305.45 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol is sourced from PubChem (CID 103766281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).