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

C14H18N2OS — CID 78998236

IUPAC3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H18N2OS/c1-11(7-8-17)15-9-14-16-13(10-18-14)12-5-3-2-4-6-12/h2-6,10-11,15,17H,7-9H2,1H3
InChIKeyWSYZILMQEICLEJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.67
Rot. Bonds6

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

3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol (PubChem CID 78998236) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
PubChem CID78998236
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H18N2OS/c1-11(7-8-17)15-9-14-16-13(10-18-14)12-5-3-2-4-6-12/h2-6,10-11,15,17H,7-9H2,1H3
InChIKeyWSYZILMQEICLEJ-UHFFFAOYSA-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

N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
CID 115633034
(2S)-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 94893161
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
3-methylsulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 115608434
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111124330
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421
3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 81022146

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol?
The IUPAC name of 3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol (CID 78998236) is 3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol is CC(CCO)NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol?
The InChIKey is WSYZILMQEICLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(7-8-17)15-9-14-16-13(10-18-14)12-5-3-2-4-6-12/h2-6,10-11,15,17H,7-9H2,1H3.
What are the key properties of 3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol?
3-[(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 3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 78998236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).