2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide

C17H22N2O3S — CID 42867054

IUPAC2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOCCOc1ccccc1-c1nc(C(=O)N(C)C(C)C)cs1
InChIInChI=1S/C17H22N2O3S/c1-12(2)19(3)17(20)14-11-23-16(18-14)13-7-5-6-8-15(13)22-10-9-21-4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyCBLVZVNWNNNESV-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.32
Rot. Bonds7

About 2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 42867054) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID42867054
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOCCOc1ccccc1-c1nc(C(=O)N(C)C(C)C)cs1
InChIInChI=1S/C17H22N2O3S/c1-12(2)19(3)17(20)14-11-23-16(18-14)13-7-5-6-8-15(13)22-10-9-21-4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyCBLVZVNWNNNESV-UHFFFAOYSA-N
XLogP3.32
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067434
2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068237
2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068245
N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 94829447
2-(3-methoxy-4-propoxyphenyl)-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068006
N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067249
2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988281
N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067949
N-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067257
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20984485
N-benzyl-2-[2-[(3,5-difluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46067384

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 42867054) is 2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is COCCOc1ccccc1-c1nc(C(=O)N(C)C(C)C)cs1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CBLVZVNWNNNESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-12(2)19(3)17(20)14-11-23-16(18-14)13-7-5-6-8-15(13)22-10-9-21-4/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42867054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).