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

C14H16N2OS — CID 173175208

IUPACN-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide
SMILESCCCc1ccc(-c2nc(NC=O)sc2C)cc1
InChIInChI=1S/C14H16N2OS/c1-3-4-11-5-7-12(8-6-11)13-10(2)18-14(16-13)15-9-17/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyMCNXYPIJKQOUTF-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.64
Rot. Bonds5

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

N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide (PubChem CID 173175208) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide.

Molecular Properties

Compound NameN-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide
PubChem CID173175208
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide
SMILESCCCc1ccc(-c2nc(NC=O)sc2C)cc1
InChIInChI=1S/C14H16N2OS/c1-3-4-11-5-7-12(8-6-11)13-10(2)18-14(16-13)15-9-17/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyMCNXYPIJKQOUTF-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119681848
2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide
CID 119955925
trans-(1S,2S)-2-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1231767
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 17498432
4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide
CID 120586855
2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 119267192
2-chloro-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 34460359
(1R,2R,3R,4R)-3-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 100690098
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19178456
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 17442649
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 39920681
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-2-(propanoylamino)butanamide
CID 60523426

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide?
The IUPAC name of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide (CID 173175208) is N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide.
What is the SMILES notation for N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide?
The canonical SMILES for N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide is CCCc1ccc(-c2nc(NC=O)sc2C)cc1.
What is the InChIKey of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide?
The InChIKey is MCNXYPIJKQOUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-3-4-11-5-7-12(8-6-11)13-10(2)18-14(16-13)15-9-17/h5-9H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide?
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide has a molecular weight of 260.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide is sourced from PubChem (CID 173175208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).