(2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol

C15H20N2OS — CID 96936562

IUPAC(2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol
SMILESCC[C@@](CO)(NCc1scnc1C)c1ccccc1
InChIInChI=1S/C15H20N2OS/c1-3-15(10-18,13-7-5-4-6-8-13)17-9-14-12(2)16-11-19-14/h4-8,11,17-18H,3,9-10H2,1-2H3/t15-/m0/s1
InChIKeyAQNHFYRUUAFWBZ-HNNXBMFYSA-N
MW276.41 g/mol
LogP2.84
Rot. Bonds6

About (2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol

(2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol (PubChem CID 96936562) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is (2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol
PubChem CID96936562
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name(2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol
SMILESCC[C@@](CO)(NCc1scnc1C)c1ccccc1
InChIInChI=1S/C15H20N2OS/c1-3-15(10-18,13-7-5-4-6-8-13)17-9-14-12(2)16-11-19-14/h4-8,11,17-18H,3,9-10H2,1-2H3/t15-/m0/s1
InChIKeyAQNHFYRUUAFWBZ-HNNXBMFYSA-N
XLogP2.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 115655890
2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol
CID 61046363
2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol
CID 61045994
2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol
CID 75426168
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 63280223
2-(cyclopropylmethylamino)-2-phenylbutan-1-ol
CID 61054828
1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea
CID 95318710
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 55170334
1-[(2-ethylphenyl)methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111635248
2-ethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 79814122
2-anilino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63281191
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 115654089

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol?
The IUPAC name of (2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol (CID 96936562) is (2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol.
What is the SMILES notation for (2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol?
The canonical SMILES for (2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol is CC[C@@](CO)(NCc1scnc1C)c1ccccc1.
What is the InChIKey of (2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol?
The InChIKey is AQNHFYRUUAFWBZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-15(10-18,13-7-5-4-6-8-13)17-9-14-12(2)16-11-19-14/h4-8,11,17-18H,3,9-10H2,1-2H3/t15-/m0/s1.
What are the key properties of (2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol?
(2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol has a molecular weight of 276.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol is sourced from PubChem (CID 96936562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).