4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol

C13H17N3OS — CID 69317380

IUPAC4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol
SMILESCN(C)c1nc([C@@H](N)Cc2ccc(O)cc2)cs1
InChIInChI=1S/C13H17N3OS/c1-16(2)13-15-12(8-18-13)11(14)7-9-3-5-10(17)6-4-9/h3-6,8,11,17H,7,14H2,1-2H3/t11-/m0/s1
InChIKeyFGIQNZHZNSLHAG-NSHDSACASA-N
MW263.37 g/mol
LogP2.16
Rot. Bonds4

About 4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol

4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol (PubChem CID 69317380) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol
PubChem CID69317380
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol
SMILESCN(C)c1nc([C@@H](N)Cc2ccc(O)cc2)cs1
InChIInChI=1S/C13H17N3OS/c1-16(2)13-15-12(8-18-13)11(14)7-9-3-5-10(17)6-4-9/h3-6,8,11,17H,7,14H2,1-2H3/t11-/m0/s1
InChIKeyFGIQNZHZNSLHAG-NSHDSACASA-N
XLogP2.16
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol?
The IUPAC name of 4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol (CID 69317380) is 4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol.
What is the SMILES notation for 4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol?
The canonical SMILES for 4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol is CN(C)c1nc([C@@H](N)Cc2ccc(O)cc2)cs1.
What is the InChIKey of 4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol?
The InChIKey is FGIQNZHZNSLHAG-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3OS/c1-16(2)13-15-12(8-18-13)11(14)7-9-3-5-10(17)6-4-9/h3-6,8,11,17H,7,14H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol?
4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol has a molecular weight of 263.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-2-[2-(dimethylamino)-1,3-thiazol-4-yl]ethyl]phenol is sourced from PubChem (CID 69317380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).