N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

C24H26N2O3S — CID 166220081

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(OCc2nc(CC(=O)NC3CC(C)(C)Oc4ccccc43)cs2)cc1
InChIInChI=1S/C24H26N2O3S/c1-16-8-10-18(11-9-16)28-14-23-25-17(15-30-23)12-22(27)26-20-13-24(2,3)29-21-7-5-4-6-19(20)21/h4-11,15,20H,12-14H2,1-3H3,(H,26,27)
InChIKeyCDUBBTPJXMFPBY-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.99
Rot. Bonds6

About N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 166220081) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID166220081
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(OCc2nc(CC(=O)NC3CC(C)(C)Oc4ccccc43)cs2)cc1
InChIInChI=1S/C24H26N2O3S/c1-16-8-10-18(11-9-16)28-14-23-25-17(15-30-23)12-22(27)26-20-13-24(2,3)29-21-7-5-4-6-19(20)21/h4-11,15,20H,12-14H2,1-3H3,(H,26,27)
InChIKeyCDUBBTPJXMFPBY-UHFFFAOYSA-N
XLogP4.99
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-4-ylacetamide
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N-(5-bromo-2-pyridinyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
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2-(aminomethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119797957
N-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119566811
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
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2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (CID 166220081) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is Cc1ccc(OCc2nc(CC(=O)NC3CC(C)(C)Oc4ccccc43)cs2)cc1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is CDUBBTPJXMFPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-16-8-10-18(11-9-16)28-14-23-25-17(15-30-23)12-22(27)26-20-13-24(2,3)29-21-7-5-4-6-19(20)21/h4-11,15,20H,12-14H2,1-3H3,(H,26,27).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 422.55 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 166220081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).