(4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol

C15H14N4OS — CID 66553049

IUPAC(4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol
SMILESNc1nc(Nc2ccccc2)sc1C(O)c1cccnc1
InChIInChI=1S/C15H14N4OS/c16-14-13(12(20)10-5-4-8-17-9-10)21-15(19-14)18-11-6-2-1-3-7-11/h1-9,12,20H,16H2,(H,18,19)
InChIKeyWVJNLMMIPZIZRR-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.95
Rot. Bonds4

About (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol

(4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol (PubChem CID 66553049) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol
PubChem CID66553049
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name(4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol
SMILESNc1nc(Nc2ccccc2)sc1C(O)c1cccnc1
InChIInChI=1S/C15H14N4OS/c16-14-13(12(20)10-5-4-8-17-9-10)21-15(19-14)18-11-6-2-1-3-7-11/h1-9,12,20H,16H2,(H,18,19)
InChIKeyWVJNLMMIPZIZRR-UHFFFAOYSA-N
XLogP2.95
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol?
The IUPAC name of (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol (CID 66553049) is (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol is Nc1nc(Nc2ccccc2)sc1C(O)c1cccnc1.
What is the InChIKey of (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol?
The InChIKey is WVJNLMMIPZIZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-14-13(12(20)10-5-4-8-17-9-10)21-15(19-14)18-11-6-2-1-3-7-11/h1-9,12,20H,16H2,(H,18,19).
What are the key properties of (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol?
(4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol has a molecular weight of 298.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-anilino-1,3-thiazol-5-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 66553049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).