2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide

C17H20N2O3S — CID 138002283

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESCOCc1nc(CNC(=O)Cc2ccc3c(c2)CCCO3)cs1
InChIInChI=1S/C17H20N2O3S/c1-21-10-17-19-14(11-23-17)9-18-16(20)8-12-4-5-15-13(7-12)3-2-6-22-15/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,18,20)
InChIKeyBKAQYYOOZKZWCE-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.47
Rot. Bonds6

About 2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide

2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 138002283) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID138002283
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESCOCc1nc(CNC(=O)Cc2ccc3c(c2)CCCO3)cs1
InChIInChI=1S/C17H20N2O3S/c1-21-10-17-19-14(11-23-17)9-18-16(20)8-12-4-5-15-13(7-12)3-2-6-22-15/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,18,20)
InChIKeyBKAQYYOOZKZWCE-UHFFFAOYSA-N
XLogP2.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide with MolForge

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110771122
2-(3,4-dihydro-2H-chromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110771186
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250
2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110771131
1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine
CID 115258559
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 110787098
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 129468755
methyl 3-(3,4-dihydro-2H-chromen-6-ylmethylamino)propanoate
CID 115232397
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110374670
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 110784245
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid
CID 98019181

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide (CID 138002283) is 2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide is COCc1nc(CNC(=O)Cc2ccc3c(c2)CCCO3)cs1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is BKAQYYOOZKZWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-21-10-17-19-14(11-23-17)9-18-16(20)8-12-4-5-15-13(7-12)3-2-6-22-15/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,18,20).
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide?
2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 138002283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).