3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol

C14H18N2OS — CID 99842719

IUPAC3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol
SMILESCc1cnc(CCN[C@@H](C)c2cccc(O)c2)s1
InChIInChI=1S/C14H18N2OS/c1-10-9-16-14(18-10)6-7-15-11(2)12-4-3-5-13(17)8-12/h3-5,8-9,11,15,17H,6-7H2,1-2H3/t11-/m0/s1
InChIKeyHOBXVSBZQRXKMR-NSHDSACASA-N
MW262.38 g/mol
LogP3.05
Rot. Bonds5

About 3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol

3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol (PubChem CID 99842719) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol
PubChem CID99842719
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol
SMILESCc1cnc(CCN[C@@H](C)c2cccc(O)c2)s1
InChIInChI=1S/C14H18N2OS/c1-10-9-16-14(18-10)6-7-15-11(2)12-4-3-5-13(17)8-12/h3-5,8-9,11,15,17H,6-7H2,1-2H3/t11-/m0/s1
InChIKeyHOBXVSBZQRXKMR-NSHDSACASA-N
XLogP3.05
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-phenylethylamino)ethyl]phenol
CID 43194109
1-(3-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113247038
3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol
CID 43202444
3-[1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]ethyl]phenol
CID 114183269
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
3-[1-(1,3-benzothiazol-2-ylmethylamino)ethyl]phenol
CID 43204573
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine
CID 103729858
3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]heptan-4-amine
CID 115677197
3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol
CID 43207421
N,N-diethyl-3-[1-(3-hydroxyphenyl)ethylamino]propanamide
CID 54934592
3-[1-(2,2-difluoroethylamino)ethyl]phenol
CID 115405831

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol?
The IUPAC name of 3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol (CID 99842719) is 3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol is Cc1cnc(CCN[C@@H](C)c2cccc(O)c2)s1.
What is the InChIKey of 3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol?
The InChIKey is HOBXVSBZQRXKMR-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-9-16-14(18-10)6-7-15-11(2)12-4-3-5-13(17)8-12/h3-5,8-9,11,15,17H,6-7H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol?
3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol has a molecular weight of 262.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 99842719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).