N,N,4-trimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxamide

C16H19N3O3S — CID 1225765

IUPACN,N,4-trimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1OCC(=O)Nc1nc(C)c(C(=O)N(C)C)s1
InChIInChI=1S/C16H19N3O3S/c1-10-7-5-6-8-12(10)22-9-13(20)18-16-17-11(2)14(23-16)15(21)19(3)4/h5-8H,9H2,1-4H3,(H,17,18,20)
InChIKeyCBWPTOSEPDOHJA-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.48
Rot. Bonds5

About N,N,4-trimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 1225765) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID1225765
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN,N,4-trimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1OCC(=O)Nc1nc(C)c(C(=O)N(C)C)s1
InChIInChI=1S/C16H19N3O3S/c1-10-7-5-6-8-12(10)22-9-13(20)18-16-17-11(2)14(23-16)15(21)19(3)4/h5-8H,9H2,1-4H3,(H,17,18,20)
InChIKeyCBWPTOSEPDOHJA-UHFFFAOYSA-N
XLogP2.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-{[(2,6-dimethylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 1285343
N-(5-acetyl-4-methyl(1,3-thiazol-2-yl))-4-(2-methylphenoxy)butanamide
CID 1637639
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2122298
1-[2-[(2-Methoxyphenyl)methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 2443329
Ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3149826
2-{[3-(4-methoxyphenyl)propanoyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 4466078
Methyl 4-methyl-2-[2-(4-methylphenoxy)acetamido]-1,3-thiazole-5-carboxylate
CID 698158
2-({[(4-methoxybenzoyl)amino]carbothioyl}amino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 1000196
1-[4-Methyl-2-[2-(4-methylphenoxy)ethylamino]-5-thiazolyl]ethanone
CID 1980098
4-methyl-2-[(1-oxo-2-phenoxyethyl)amino]-N-phenyl-5-thiazolecarboxamide
CID 1468097
2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 24881032
4-Methyl-2-(2-phenoxy-acetylamino)-thiazole-5-carboxylic acid methyl ester
CID 647925

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxamide (CID 1225765) is N,N,4-trimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxamide is Cc1ccccc1OCC(=O)Nc1nc(C)c(C(=O)N(C)C)s1.
What is the InChIKey of N,N,4-trimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is CBWPTOSEPDOHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10-7-5-6-8-12(10)22-9-13(20)18-16-17-11(2)14(23-16)15(21)19(3)4/h5-8H,9H2,1-4H3,(H,17,18,20).
What are the key properties of N,N,4-trimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1225765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).