3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol

C12H15N3OS — CID 114031488

IUPAC3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol
SMILESCc1nc(C(O)C(CN)c2ccccn2)cs1
InChIInChI=1S/C12H15N3OS/c1-8-15-11(7-17-8)12(16)9(6-13)10-4-2-3-5-14-10/h2-5,7,9,12,16H,6,13H2,1H3
InChIKeyADCVFLOKEICVTP-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.62
Rot. Bonds4

About 3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol

3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol (PubChem CID 114031488) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol
PubChem CID114031488
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol
SMILESCc1nc(C(O)C(CN)c2ccccn2)cs1
InChIInChI=1S/C12H15N3OS/c1-8-15-11(7-17-8)12(16)9(6-13)10-4-2-3-5-14-10/h2-5,7,9,12,16H,6,13H2,1H3
InChIKeyADCVFLOKEICVTP-UHFFFAOYSA-N
XLogP1.62
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol
CID 80525924
3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527108
3-amino-1-(2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527197
(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 28819519
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol
CID 80526991
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol
CID 83150029
4-amino-1-pyridin-2-ylbutane-1,2-diol
CID 171880668
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527014
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943
3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 80525256

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol (CID 114031488) is 3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol is Cc1nc(C(O)C(CN)c2ccccn2)cs1.
What is the InChIKey of 3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol?
The InChIKey is ADCVFLOKEICVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-15-11(7-17-8)12(16)9(6-13)10-4-2-3-5-14-10/h2-5,7,9,12,16H,6,13H2,1H3.
What are the key properties of 3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol?
3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol has a molecular weight of 249.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 114031488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).