(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol

C14H18N2OS — CID 94893161

IUPAC(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H18N2OS/c1-2-12(9-17)15-8-14-16-13(10-18-14)11-6-4-3-5-7-11/h3-7,10,12,15,17H,2,8-9H2,1H3/t12-/m0/s1
InChIKeyHSOFTDKKWDQTBK-LBPRGKRZSA-N
MW262.38 g/mol
LogP2.67
Rot. Bonds6

About (2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol

(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol (PubChem CID 94893161) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
PubChem CID94893161
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H18N2OS/c1-2-12(9-17)15-8-14-16-13(10-18-14)11-6-4-3-5-7-11/h3-7,10,12,15,17H,2,8-9H2,1H3/t12-/m0/s1
InChIKeyHSOFTDKKWDQTBK-LBPRGKRZSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 78998236
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103016
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
CID 115633034
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204
(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
CID 834361
2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103012
(2S)-2-[(5-phenyl-2H-triazol-4-yl)methylamino]butan-1-ol
CID 98571652

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol (CID 94893161) is (2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol is CC[C@@H](CO)NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of (2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol?
The InChIKey is HSOFTDKKWDQTBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-12(9-17)15-8-14-16-13(10-18-14)11-6-4-3-5-7-11/h3-7,10,12,15,17H,2,8-9H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol?
(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol has a molecular weight of 262.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 94893161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).