N,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide

C15H19N3O2S — CID 35127004

IUPACN,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N(C)CCOc1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-11-13(14(16-2)21-17-11)15(19)18(3)9-10-20-12-7-5-4-6-8-12/h4-8,16H,9-10H2,1-3H3
InChIKeyKSUKJGDJFTXAOQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.64
Rot. Bonds6

About N,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide

N,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide (PubChem CID 35127004) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide
PubChem CID35127004
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N(C)CCOc1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-11-13(14(16-2)21-17-11)15(19)18(3)9-10-20-12-7-5-4-6-8-12/h4-8,16H,9-10H2,1-3H3
InChIKeyKSUKJGDJFTXAOQ-UHFFFAOYSA-N
XLogP2.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 60513635
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
CID 54876649
3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide
CID 18136300
N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304910
N,3-dimethyl-N-(2-phenoxyethyl)-1-benzothiophene-2-carboxamide
CID 18113160
5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 31284852
6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 61042256
1-methyl-3-[(4-methylphenyl)methyl]-1-(2-phenoxyethyl)urea
CID 27517654
2-[(4-chlorophenoxy)methyl]-N,4-dimethyl-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide
CID 46586534
3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide
CID 103379210

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide (CID 35127004) is N,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)N(C)CCOc1ccccc1.
What is the InChIKey of N,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide?
The InChIKey is KSUKJGDJFTXAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-13(14(16-2)21-17-11)15(19)18(3)9-10-20-12-7-5-4-6-8-12/h4-8,16H,9-10H2,1-3H3.
What are the key properties of N,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide?
N,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-(methylamino)-N-(2-phenoxyethyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 35127004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).