N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide

C14H17N3O2S — CID 110428238

IUPACN-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCC(CO)NC(=O)CCc1csc(-c2ccncc2)n1
InChIInChI=1S/C14H17N3O2S/c1-10(8-18)16-13(19)3-2-12-9-20-14(17-12)11-4-6-15-7-5-11/h4-7,9-10,18H,2-3,8H2,1H3,(H,16,19)
InChIKeyAERWAOITFDDAQV-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.63
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide

N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110428238) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110428238
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCC(CO)NC(=O)CCc1csc(-c2ccncc2)n1
InChIInChI=1S/C14H17N3O2S/c1-10(8-18)16-13(19)3-2-12-9-20-14(17-12)11-4-6-15-7-5-11/h4-7,9-10,18H,2-3,8H2,1H3,(H,16,19)
InChIKeyAERWAOITFDDAQV-UHFFFAOYSA-N
XLogP1.63
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032
N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329967
N-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110675542
N-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110406262
N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330056
N-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110633537
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110675529
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110411716
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330031
methyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
CID 110330071

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (CID 110428238) is N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is CC(CO)NC(=O)CCc1csc(-c2ccncc2)n1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is AERWAOITFDDAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10(8-18)16-13(19)3-2-12-9-20-14(17-12)11-4-6-15-7-5-11/h4-7,9-10,18H,2-3,8H2,1H3,(H,16,19).
What are the key properties of N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 291.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110428238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).