N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide

C16H19N3O2S — CID 51594327

IUPACN-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H19N3O2S/c1-3-13-15(22-19-18-13)16(20)17-10(2)11-6-7-14-12(9-11)5-4-8-21-14/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyPPRPCPSHJSCZOJ-JTQLQIEISA-N
MW317.41 g/mol
LogP2.92
Rot. Bonds4

About N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide

N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 51594327) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
PubChem CID51594327
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H19N3O2S/c1-3-13-15(22-19-18-13)16(20)17-10(2)11-6-7-14-12(9-11)5-4-8-21-14/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyPPRPCPSHJSCZOJ-JTQLQIEISA-N
XLogP2.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 51592382
N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 51592381
N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methyltriazol-1-yl)acetamide
CID 46971557
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methyltriazol-1-yl)acetamide
CID 51587150
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide
CID 46521837
N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide
CID 92582478
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide
CID 92582479
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 46523449
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 51592407
4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide
CID 34815435
3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
CID 46957009
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide (CID 51594327) is N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is PPRPCPSHJSCZOJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-13-15(22-19-18-13)16(20)17-10(2)11-6-7-14-12(9-11)5-4-8-21-14/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,20)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 51594327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).