[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate

C18H25N3O3S — CID 8535621

IUPAC[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)O[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25N3O3S/c1-3-14-15(25-21-20-14)17(23)24-10(2)16(22)19-18-7-11-4-12(8-18)6-13(5-11)9-18/h10-13H,3-9H2,1-2H3,(H,19,22)/t10-,11?,12?,13?,18?/m1/s1
InChIKeyQKVFVYFDVUEZAN-VALILCMLSA-N
MW363.48 g/mol
LogP2.73
Rot. Bonds5

About [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate

[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate (PubChem CID 8535621) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
PubChem CID8535621
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)O[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25N3O3S/c1-3-14-15(25-21-20-14)17(23)24-10(2)16(22)19-18-7-11-4-12(8-18)6-13(5-11)9-18/h10-13H,3-9H2,1-2H3,(H,19,22)/t10-,11?,12?,13?,18?/m1/s1
InChIKeyQKVFVYFDVUEZAN-VALILCMLSA-N
XLogP2.73
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
CID 8535395
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
CID 8535392
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972027
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8507732
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7789451
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
CID 8535146
N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide
CID 9192834
[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
CID 8535258
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 8017601
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3,3-dimethylbutanoate
CID 7950815
4-O-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 1-O-ethyl (E)-but-2-enedioate
CID 7851689
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785177

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate?
The IUPAC name of [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate (CID 8535621) is [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate.
What is the SMILES notation for [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate?
The canonical SMILES for [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate is CCc1nnsc1C(=O)O[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate?
The InChIKey is QKVFVYFDVUEZAN-VALILCMLSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-3-14-15(25-21-20-14)17(23)24-10(2)16(22)19-18-7-11-4-12(8-18)6-13(5-11)9-18/h10-13H,3-9H2,1-2H3,(H,19,22)/t10-,11?,12?,13?,18?/m1/s1.
What are the key properties of [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate?
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate has a molecular weight of 363.48 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate is sourced from PubChem (CID 8535621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).