N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide

C10H13BrN2O2S — CID 103556726

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2ncc(Br)s2)CCC1
InChIInChI=1S/C10H13BrN2O2S/c1-15-10(3-2-4-10)5-8(14)13-9-12-6-7(11)16-9/h6H,2-5H2,1H3,(H,12,13,14)
InChIKeyNMEQQUJLTFQPPJ-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.80
Rot. Bonds4

About N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide

N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103556726) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID103556726
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2ncc(Br)s2)CCC1
InChIInChI=1S/C10H13BrN2O2S/c1-15-10(3-2-4-10)5-8(14)13-9-12-6-7(11)16-9/h6H,2-5H2,1H3,(H,12,13,14)
InChIKeyNMEQQUJLTFQPPJ-UHFFFAOYSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide (CID 103556726) is N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)Nc2ncc(Br)s2)CCC1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is NMEQQUJLTFQPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c1-15-10(3-2-4-10)5-8(14)13-9-12-6-7(11)16-9/h6H,2-5H2,1H3,(H,12,13,14).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 305.20 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103556726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).