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

C16H20N2O3S — CID 46067434

IUPAC2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOCCOc1ccccc1-c1nc(C(=O)NC(C)C)cs1
InChIInChI=1S/C16H20N2O3S/c1-11(2)17-15(19)13-10-22-16(18-13)12-6-4-5-7-14(12)21-9-8-20-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,19)
InChIKeyZDJQSVOTVPFUJX-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.97
Rot. Bonds7

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

2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 46067434) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID46067434
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOCCOc1ccccc1-c1nc(C(=O)NC(C)C)cs1
InChIInChI=1S/C16H20N2O3S/c1-11(2)17-15(19)13-10-22-16(18-13)12-6-4-5-7-14(12)21-9-8-20-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,19)
InChIKeyZDJQSVOTVPFUJX-UHFFFAOYSA-N
XLogP2.97
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
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-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 42867054
N-[(2R)-2-(dimethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 94829447
N-(furan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067257
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 46560358
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20984485
2-[2-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988281
2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 55748162
2-[2-[(2,6-difluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46067287
2-(1-phenylpyrazol-4-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 176630308

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 46067434) is 2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is COCCOc1ccccc1-c1nc(C(=O)NC(C)C)cs1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZDJQSVOTVPFUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11(2)17-15(19)13-10-22-16(18-13)12-6-4-5-7-14(12)21-9-8-20-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46067434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).