N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide

C16H18N2O2S — CID 164630900

IUPACN-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide
SMILESCN(C[C@@H]1OCCc2ccccc21)C(=O)Cc1cscn1
InChIInChI=1S/C16H18N2O2S/c1-18(16(19)8-13-10-21-11-17-13)9-15-14-5-3-2-4-12(14)6-7-20-15/h2-5,10-11,15H,6-9H2,1H3/t15-/m0/s1
InChIKeyRYNCOGZQPHRLNI-HNNXBMFYSA-N
MW302.40 g/mol
LogP2.46
Rot. Bonds4

About N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide

N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide (PubChem CID 164630900) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide
PubChem CID164630900
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide
SMILESCN(C[C@@H]1OCCc2ccccc21)C(=O)Cc1cscn1
InChIInChI=1S/C16H18N2O2S/c1-18(16(19)8-13-10-21-11-17-13)9-15-14-5-3-2-4-12(14)6-7-20-15/h2-5,10-11,15H,6-9H2,1H3/t15-/m0/s1
InChIKeyRYNCOGZQPHRLNI-HNNXBMFYSA-N
XLogP2.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide (CID 164630900) is N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide is CN(C[C@@H]1OCCc2ccccc21)C(=O)Cc1cscn1.
What is the InChIKey of N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide?
The InChIKey is RYNCOGZQPHRLNI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-18(16(19)8-13-10-21-11-17-13)9-15-14-5-3-2-4-12(14)6-7-20-15/h2-5,10-11,15H,6-9H2,1H3/t15-/m0/s1.
What are the key properties of N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide?
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide has a molecular weight of 302.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-2-(1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 164630900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).