N-benzyl-N-(1,3-thiazol-2-yl)formamide

C11H10N2OS — CID 88636518

IUPACN-benzyl-N-(1,3-thiazol-2-yl)formamide
SMILESO=CN(Cc1ccccc1)c1nccs1
InChIInChI=1S/C11H10N2OS/c14-9-13(11-12-6-7-15-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyFFIMEVVNTKYYTG-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.31
Rot. Bonds4

About N-benzyl-N-(1,3-thiazol-2-yl)formamide

N-benzyl-N-(1,3-thiazol-2-yl)formamide (PubChem CID 88636518) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is N-benzyl-N-(1,3-thiazol-2-yl)formamide.

Molecular Properties

Compound NameN-benzyl-N-(1,3-thiazol-2-yl)formamide
PubChem CID88636518
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC NameN-benzyl-N-(1,3-thiazol-2-yl)formamide
SMILESO=CN(Cc1ccccc1)c1nccs1
InChIInChI=1S/C11H10N2OS/c14-9-13(11-12-6-7-15-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyFFIMEVVNTKYYTG-UHFFFAOYSA-N
XLogP2.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1,3-thiazol-2-yl)formamide?
The IUPAC name of N-benzyl-N-(1,3-thiazol-2-yl)formamide (CID 88636518) is N-benzyl-N-(1,3-thiazol-2-yl)formamide.
What is the SMILES notation for N-benzyl-N-(1,3-thiazol-2-yl)formamide?
The canonical SMILES for N-benzyl-N-(1,3-thiazol-2-yl)formamide is O=CN(Cc1ccccc1)c1nccs1.
What is the InChIKey of N-benzyl-N-(1,3-thiazol-2-yl)formamide?
The InChIKey is FFIMEVVNTKYYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c14-9-13(11-12-6-7-15-11)8-10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of N-benzyl-N-(1,3-thiazol-2-yl)formamide?
N-benzyl-N-(1,3-thiazol-2-yl)formamide has a molecular weight of 218.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1,3-thiazol-2-yl)formamide is sourced from PubChem (CID 88636518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).