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

C16H18N2O2S — CID 34069127

IUPACN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC[C@@H]2COc3ccccc3C2)cs1
InChIInChI=1S/C16H18N2O2S/c1-11-18-14(10-21-11)7-16(19)17-8-12-6-13-4-2-3-5-15(13)20-9-12/h2-5,10,12H,6-9H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyCRXCMGZVBLJTKX-GFCCVEGCSA-N
MW302.40 g/mol
LogP2.36
Rot. Bonds4

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

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 34069127) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID34069127
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC[C@@H]2COc3ccccc3C2)cs1
InChIInChI=1S/C16H18N2O2S/c1-11-18-14(10-21-11)7-16(19)17-8-12-6-13-4-2-3-5-15(13)20-9-12/h2-5,10,12H,6-9H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyCRXCMGZVBLJTKX-GFCCVEGCSA-N
XLogP2.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 34069127) is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NC[C@@H]2COc3ccccc3C2)cs1.
What is the InChIKey of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CRXCMGZVBLJTKX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-18-14(10-21-11)7-16(19)17-8-12-6-13-4-2-3-5-15(13)20-9-12/h2-5,10,12H,6-9H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 302.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 34069127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).