N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide

C11H13N3OS2 — CID 50970588

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCc1csc(CNC(=O)c2csc(C)n2)n1
InChIInChI=1S/C11H13N3OS2/c1-3-8-5-17-10(14-8)4-12-11(15)9-6-16-7(2)13-9/h5-6H,3-4H2,1-2H3,(H,12,15)
InChIKeySEZIEBYWRBRDMF-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.40
Rot. Bonds4

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 50970588) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID50970588
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCc1csc(CNC(=O)c2csc(C)n2)n1
InChIInChI=1S/C11H13N3OS2/c1-3-8-5-17-10(14-8)4-12-11(15)9-6-16-7(2)13-9/h5-6H,3-4H2,1-2H3,(H,12,15)
InChIKeySEZIEBYWRBRDMF-UHFFFAOYSA-N
XLogP2.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154869241
2-methylsulfanyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 118787881
N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198788
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
N-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 122567185
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70744303
2-[[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527040
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 110474082
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443698
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443992
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443932

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 50970588) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide is CCc1csc(CNC(=O)c2csc(C)n2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is SEZIEBYWRBRDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-3-8-5-17-10(14-8)4-12-11(15)9-6-16-7(2)13-9/h5-6H,3-4H2,1-2H3,(H,12,15).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50970588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).