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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine
CID 175177928
benzyl N-[[2-[[phenylmethoxycarbonyl(1,3-thiazol-2-yl)amino]methyl]phenyl]methyl]-N-(1,3-thiazol-2-yl)carbamate
CID 24796853
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 27805787
1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
N-benzyl-N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694015
(2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid
CID 175420366
N'-benzyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 107365130
1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 46997406
2-[benzyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134023
3-[(4-methylphenyl)methyl-(1,3-thiazol-2-yl)amino]propanoic acid
CID 82309727
3-[benzyl(methyl)amino]thiophene-2-carbaldehyde
CID 101025514

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).