N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C17H20N2O2S — CID 97114800

IUPACN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)NC[C@H]1COc2ccccc2C1
InChIInChI=1S/C17H20N2O2S/c1-12-16(22-11-19-12)6-7-17(20)18-9-13-8-14-4-2-3-5-15(14)21-10-13/h2-5,11,13H,6-10H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyUSONXOCVSXXDIW-ZDUSSCGKSA-N
MW316.43 g/mol
LogP2.75
Rot. Bonds5

About N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 97114800) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID97114800
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)NC[C@H]1COc2ccccc2C1
InChIInChI=1S/C17H20N2O2S/c1-12-16(22-11-19-12)6-7-17(20)18-9-13-8-14-4-2-3-5-15(14)21-10-13/h2-5,11,13H,6-10H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyUSONXOCVSXXDIW-ZDUSSCGKSA-N
XLogP2.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 97114800) is N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1ncsc1CCC(=O)NC[C@H]1COc2ccccc2C1.
What is the InChIKey of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is USONXOCVSXXDIW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-16(22-11-19-12)6-7-17(20)18-9-13-8-14-4-2-3-5-15(14)21-10-13/h2-5,11,13H,6-10H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 316.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 97114800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).