N-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide

C24H21N3O3S — CID 90665650

IUPACN-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCC(O)c1nc(-c2cccc(CO)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C24H21N3O3S/c1-15(29)24-27-21(18-9-5-6-16(12-18)14-28)22(31-24)19-10-11-25-20(13-19)26-23(30)17-7-3-2-4-8-17/h2-13,15,28-29H,14H2,1H3,(H,25,26,30)
InChIKeyOOSXNVYIJACWJK-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.67
Rot. Bonds6

About N-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide

N-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 90665650) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
PubChem CID90665650
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC NameN-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCC(O)c1nc(-c2cccc(CO)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C24H21N3O3S/c1-15(29)24-27-21(18-9-5-6-16(12-18)14-28)22(31-24)19-10-11-25-20(13-19)26-23(30)17-7-3-2-4-8-17/h2-13,15,28-29H,14H2,1H3,(H,25,26,30)
InChIKeyOOSXNVYIJACWJK-UHFFFAOYSA-N
XLogP4.67
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Tak-715
CID 9952773
N-[4-(2-Propyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 10179981
N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]phenylacetamide
CID 10295235
N-[4-(2-Ethyl-4-o-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 11675697
5-[5-[6-[(4-ethyl-2-pyridinyl)amino]-4-methyl-2-pyridinyl]-1,3-thiazol-2-yl]-5-hydroxy-7,8-dihydro-6H-naphthalene-2-carboxylic acid
CID 70977679
5-hydroxy-5-[5-[4-methyl-6-[(4-propyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid
CID 70978079
5-hydroxy-5-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid
CID 71002235
(5R)-N-cyano-5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide
CID 86766737
(5R)-5-hydroxy-N-methoxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide
CID 86766740
4-[[4-Amino-5-[hydroxy(pyridin-3-yl)methyl]-1,3-thiazol-2-yl]amino]benzamide
CID 66553065
N-{4-[2-Ethyl-4-(4-fluoro-phenyl)-thiazol-5-yl]-pyridin-2-yl}-benzamide
CID 11502288
N-[4-(2-Ethyl-4-phenyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 11531118

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (CID 90665650) is N-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is CC(O)c1nc(-c2cccc(CO)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1.
What is the InChIKey of N-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The InChIKey is OOSXNVYIJACWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-15(29)24-27-21(18-9-5-6-16(12-18)14-28)22(31-24)19-10-11-25-20(13-19)26-23(30)17-7-3-2-4-8-17/h2-13,15,28-29H,14H2,1H3,(H,25,26,30).
What are the key properties of N-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
N-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide has a molecular weight of 431.52 g/mol, XLogP of 4.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 90665650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).