(2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol

C14H13N3OS — CID 105379207

IUPAC(2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol
SMILESCc1ccc2cc(C(O)c3cnc(N)s3)ccc2n1
InChIInChI=1S/C14H13N3OS/c1-8-2-3-9-6-10(4-5-11(9)17-8)13(18)12-7-16-14(15)19-12/h2-7,13,18H,1H3,(H2,15,16)
InChIKeyJDDYRDZUEDAJSY-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.66
Rot. Bonds2

About (2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol

(2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol (PubChem CID 105379207) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol
PubChem CID105379207
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name(2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol
SMILESCc1ccc2cc(C(O)c3cnc(N)s3)ccc2n1
InChIInChI=1S/C14H13N3OS/c1-8-2-3-9-6-10(4-5-11(9)17-8)13(18)12-7-16-14(15)19-12/h2-7,13,18H,1H3,(H2,15,16)
InChIKeyJDDYRDZUEDAJSY-UHFFFAOYSA-N
XLogP2.66
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylquinolin-6-yl)-thiophen-2-ylmethanol
CID 81215895
(4-chlorothiophen-2-yl)-(2-methylquinolin-6-yl)methanol
CID 81216435
(4-amino-3-pyridinyl)-(2-methylquinolin-6-yl)methanol
CID 105379142
(2-methylquinolin-6-yl)-(1,3-thiazol-4-yl)methanol
CID 81220837
(2-methylquinolin-6-yl)-pyridazin-4-ylmethanol
CID 105118439
(2-amino-1,3-thiazol-5-yl)-(4-fluorophenyl)methanol
CID 112694574
(1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol
CID 81215608
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
(2-fluoro-4-methylphenyl)-(2-methylquinolin-6-yl)methanol
CID 115826569
(2-methoxy-3-pyridinyl)-(2-methylquinolin-6-yl)methanol
CID 105118483
(3-methoxy-4-pyridinyl)-(2-methylquinolin-6-yl)methanol
CID 105066395
[(2-methylquinolin-6-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105327200

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol?
The IUPAC name of (2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol (CID 105379207) is (2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol.
What is the SMILES notation for (2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol?
The canonical SMILES for (2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol is Cc1ccc2cc(C(O)c3cnc(N)s3)ccc2n1.
What is the InChIKey of (2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol?
The InChIKey is JDDYRDZUEDAJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-8-2-3-9-6-10(4-5-11(9)17-8)13(18)12-7-16-14(15)19-12/h2-7,13,18H,1H3,(H2,15,16).
What are the key properties of (2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol?
(2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol has a molecular weight of 271.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol is sourced from PubChem (CID 105379207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).