N-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide

C13H14N2OS — CID 88503878

IUPACN-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide
SMILESCc1nc(C)c(Cc2cccc(NC=O)c2)s1
InChIInChI=1S/C13H14N2OS/c1-9-13(17-10(2)15-9)7-11-4-3-5-12(6-11)14-8-16/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyFWUIVTRLYBMMNN-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.92
Rot. Bonds4

About N-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide

N-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide (PubChem CID 88503878) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide.

Molecular Properties

Compound NameN-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide
PubChem CID88503878
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide
SMILESCc1nc(C)c(Cc2cccc(NC=O)c2)s1
InChIInChI=1S/C13H14N2OS/c1-9-13(17-10(2)15-9)7-11-4-3-5-12(6-11)14-8-16/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyFWUIVTRLYBMMNN-UHFFFAOYSA-N
XLogP2.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
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-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide?
The IUPAC name of N-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide (CID 88503878) is N-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide.
What is the SMILES notation for N-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide?
The canonical SMILES for N-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide is Cc1nc(C)c(Cc2cccc(NC=O)c2)s1.
What is the InChIKey of N-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide?
The InChIKey is FWUIVTRLYBMMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-13(17-10(2)15-9)7-11-4-3-5-12(6-11)14-8-16/h3-6,8H,7H2,1-2H3,(H,14,16).
What are the key properties of N-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide?
N-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide has a molecular weight of 246.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]phenyl]formamide is sourced from PubChem (CID 88503878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).