2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol

C14H21N3OS — CID 87970242

IUPAC2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol
SMILESCC1=C(CCO)SC(C)(N)N1Cc1ccc(C)nc1
InChIInChI=1S/C14H21N3OS/c1-10-4-5-12(8-16-10)9-17-11(2)13(6-7-18)19-14(17,3)15/h4-5,8,18H,6-7,9,15H2,1-3H3
InChIKeyLCCSOINHZLEADP-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.19
Rot. Bonds4

About 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol

2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol (PubChem CID 87970242) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol
PubChem CID87970242
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol
SMILESCC1=C(CCO)SC(C)(N)N1Cc1ccc(C)nc1
InChIInChI=1S/C14H21N3OS/c1-10-4-5-12(8-16-10)9-17-11(2)13(6-7-18)19-14(17,3)15/h4-5,8,18H,6-7,9,15H2,1-3H3
InChIKeyLCCSOINHZLEADP-UHFFFAOYSA-N
XLogP2.19
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol (CID 87970242) is 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol is CC1=C(CCO)SC(C)(N)N1Cc1ccc(C)nc1.
What is the InChIKey of 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol?
The InChIKey is LCCSOINHZLEADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10-4-5-12(8-16-10)9-17-11(2)13(6-7-18)19-14(17,3)15/h4-5,8,18H,6-7,9,15H2,1-3H3.
What are the key properties of 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol?
2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol has a molecular weight of 279.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 87970242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).