(2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol

C13H15ClN2OS — CID 166242585

IUPAC(2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
SMILESC[C@H](CO)NCc1cnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C13H15ClN2OS/c1-9(8-17)15-6-12-7-16-13(18-12)10-3-2-4-11(14)5-10/h2-5,7,9,15,17H,6,8H2,1H3/t9-/m1/s1
InChIKeyFAYBYOBJWXYMPF-SECBINFHSA-N
MW282.80 g/mol
LogP2.93
Rot. Bonds5

About (2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol

(2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol (PubChem CID 166242585) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is (2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
PubChem CID166242585
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name(2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
SMILESC[C@H](CO)NCc1cnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C13H15ClN2OS/c1-9(8-17)15-6-12-7-16-13(18-12)10-3-2-4-11(14)5-10/h2-5,7,9,15,17H,6,8H2,1H3/t9-/m1/s1
InChIKeyFAYBYOBJWXYMPF-SECBINFHSA-N
XLogP2.93
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 111382371
2-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115091752
(2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 103757495
3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 61282920
(2S)-3-methyl-2-[(2-phenyl-1,3-thiazol-5-yl)methylamino]butanoic acid
CID 120510586
N-[[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82422506
N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61280364
2-[(2,5-dichlorothiophen-3-yl)methylamino]propan-1-ol
CID 107961535
N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 66158910
2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propanoic acid
CID 120913270
(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol
CID 93082944
N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107504208

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol (CID 166242585) is (2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol is C[C@H](CO)NCc1cnc(-c2cccc(Cl)c2)s1.
What is the InChIKey of (2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol?
The InChIKey is FAYBYOBJWXYMPF-SECBINFHSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-9(8-17)15-6-12-7-16-13(18-12)10-3-2-4-11(14)5-10/h2-5,7,9,15,17H,6,8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol?
(2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol has a molecular weight of 282.80 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol is sourced from PubChem (CID 166242585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).