N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide

C18H21N3O2S — CID 74230031

IUPACN-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide
SMILESO=C(CCc1cn2ccccc2n1)NCC(CO)Cc1cccs1
InChIInChI=1S/C18H21N3O2S/c22-13-14(10-16-4-3-9-24-16)11-19-18(23)7-6-15-12-21-8-2-1-5-17(21)20-15/h1-5,8-9,12,14,22H,6-7,10-11,13H2,(H,19,23)
InChIKeyJFLLJILMPMEDON-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.30
Rot. Bonds8

About N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide

N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide (PubChem CID 74230031) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide
PubChem CID74230031
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide
SMILESO=C(CCc1cn2ccccc2n1)NCC(CO)Cc1cccs1
InChIInChI=1S/C18H21N3O2S/c22-13-14(10-16-4-3-9-24-16)11-19-18(23)7-6-15-12-21-8-2-1-5-17(21)20-15/h1-5,8-9,12,14,22H,6-7,10-11,13H2,(H,19,23)
InChIKeyJFLLJILMPMEDON-UHFFFAOYSA-N
XLogP2.30
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70749928
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide
CID 50979857
N-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47016634
3-imidazo[1,2-a]pyridin-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 56716306
3-(1,3-dioxoisoindol-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanamide
CID 8917053
3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide
CID 95123356
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 32835792
N-[2-(2-chlorophenoxy)ethyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide
CID 74243702
(2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
CID 107833206
2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide
CID 97139042
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)propane-1,3-diol
CID 65313149
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 31008366

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide (CID 74230031) is N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide is O=C(CCc1cn2ccccc2n1)NCC(CO)Cc1cccs1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide?
The InChIKey is JFLLJILMPMEDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-13-14(10-16-4-3-9-24-16)11-19-18(23)7-6-15-12-21-8-2-1-5-17(21)20-15/h1-5,8-9,12,14,22H,6-7,10-11,13H2,(H,19,23).
What are the key properties of N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide?
N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide has a molecular weight of 343.45 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide is sourced from PubChem (CID 74230031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).