N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide

C12H18N2O3S — CID 103557205

IUPACN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2nc(C(C)O)cs2)CCC1
InChIInChI=1S/C12H18N2O3S/c1-8(15)9-7-18-11(13-9)14-10(16)6-12(17-2)4-3-5-12/h7-8,15H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyUXOVDHGDAIBZNE-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.09
Rot. Bonds5

About N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103557205) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide
PubChem CID103557205
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2nc(C(C)O)cs2)CCC1
InChIInChI=1S/C12H18N2O3S/c1-8(15)9-7-18-11(13-9)14-10(16)6-12(17-2)4-3-5-12/h7-8,15H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyUXOVDHGDAIBZNE-UHFFFAOYSA-N
XLogP2.09
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide (CID 103557205) is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)Nc2nc(C(C)O)cs2)CCC1.
What is the InChIKey of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is UXOVDHGDAIBZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(15)9-7-18-11(13-9)14-10(16)6-12(17-2)4-3-5-12/h7-8,15H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide?
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 270.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103557205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).