N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclobutanecarboxamide

C13H14N2OS2 — CID 2738827

IUPACN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclobutanecarboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)C1CCC1
InChIInChI=1S/C13H14N2OS2/c16-12(9-3-1-4-9)14-7-10-8-18-13(15-10)11-5-2-6-17-11/h2,5-6,8-9H,1,3-4,7H2,(H,14,16)
InChIKeyBDRZSNNCYGMGSZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.29
Rot. Bonds4

About N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclobutanecarboxamide

N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclobutanecarboxamide (PubChem CID 2738827) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclobutanecarboxamide
PubChem CID2738827
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclobutanecarboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)C1CCC1
InChIInChI=1S/C13H14N2OS2/c16-12(9-3-1-4-9)14-7-10-8-18-13(15-10)11-5-2-6-17-11/h2,5-6,8-9H,1,3-4,7H2,(H,14,16)
InChIKeyBDRZSNNCYGMGSZ-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclobutanecarboxamide (CID 2738827) is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclobutanecarboxamide is O=C(NCc1csc(-c2cccs2)n1)C1CCC1.
What is the InChIKey of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclobutanecarboxamide?
The InChIKey is BDRZSNNCYGMGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c16-12(9-3-1-4-9)14-7-10-8-18-13(15-10)11-5-2-6-17-11/h2,5-6,8-9H,1,3-4,7H2,(H,14,16).
What are the key properties of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclobutanecarboxamide?
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclobutanecarboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 2738827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).