N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C17H21N3O2S — CID 91775415

IUPACN-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC(Cc2ccccn2)C2CC(O)C2)cs1
InChIInChI=1S/C17H21N3O2S/c1-11-19-14(10-23-11)9-17(22)20-16(12-6-15(21)7-12)8-13-4-2-3-5-18-13/h2-5,10,12,15-16,21H,6-9H2,1H3,(H,20,22)
InChIKeyLMBYUUYSYXGOJZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP1.89
Rot. Bonds6

About N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 91775415) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID91775415
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC(Cc2ccccn2)C2CC(O)C2)cs1
InChIInChI=1S/C17H21N3O2S/c1-11-19-14(10-23-11)9-17(22)20-16(12-6-15(21)7-12)8-13-4-2-3-5-18-13/h2-5,10,12,15-16,21H,6-9H2,1H3,(H,20,22)
InChIKeyLMBYUUYSYXGOJZ-UHFFFAOYSA-N
XLogP1.89
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-difluorophenyl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]acetamide
CID 91770411
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide
CID 91767745
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91784792
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 91797220
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 91766472
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]acetamide
CID 91786823
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 91789615
N-(4-hydroxycyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43389129
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91788138
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 91788033
5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide
CID 91785265
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 91762352

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 91775415) is N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NC(Cc2ccccn2)C2CC(O)C2)cs1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LMBYUUYSYXGOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11-19-14(10-23-11)9-17(22)20-16(12-6-15(21)7-12)8-13-4-2-3-5-18-13/h2-5,10,12,15-16,21H,6-9H2,1H3,(H,20,22).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 331.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 91775415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).