(1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide

C19H27N3O3S — CID 131841703

IUPAC(1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide
SMILESCC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@](C(=O)NCCC(=O)Nc1nccs1)(C3)C2
InChIInChI=1S/C19H27N3O3S/c1-2-17-7-13-8-18(10-17,12-19(25,9-13)11-17)15(24)20-4-3-14(23)22-16-21-5-6-26-16/h5-6,13,25H,2-4,7-12H2,1H3,(H,20,24)(H,21,22,23)/t13-,17+,18+,19-/m1/s1
InChIKeyLVFADNXJBOMYEY-WEZQJLTASA-N
MW377.51 g/mol
LogP2.70
Rot. Bonds6

About (1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide

(1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide (PubChem CID 131841703) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is (1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide
PubChem CID131841703
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name(1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide
SMILESCC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@](C(=O)NCCC(=O)Nc1nccs1)(C3)C2
InChIInChI=1S/C19H27N3O3S/c1-2-17-7-13-8-18(10-17,12-19(25,9-13)11-17)15(24)20-4-3-14(23)22-16-21-5-6-26-16/h5-6,13,25H,2-4,7-12H2,1H3,(H,20,24)(H,21,22,23)/t13-,17+,18+,19-/m1/s1
InChIKeyLVFADNXJBOMYEY-WEZQJLTASA-N
XLogP2.70
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide with MolForge

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Related Compounds

N-(2-aminoethyl)-3-ethyl-5-hydroxyadamantane-1-carboxamide
CID 131943426
(1R,3S,5R,7R)-3-ethyl-N-(2-ethylsulfonylethyl)-5-hydroxyadamantane-1-carboxamide
CID 98244253
(1R,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-(N-methylanilino)propyl]adamantane-1-carboxamide
CID 98305706
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
(3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 878630
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-ethyl-5-hydroxyadamantane-1-carboxamide
CID 131918349
2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
CID 3581376
(5S,7R)-3-acetamido-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide
CID 95044326
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
CID 50875911
N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide
CID 4568827
2-[(5R,7R)-3-bromo-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
CID 98125965
5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide
CID 50955525

Frequently Asked Questions

What is the IUPAC name of (1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide?
The IUPAC name of (1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide (CID 131841703) is (1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide.
What is the SMILES notation for (1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide?
The canonical SMILES for (1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide is CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@](C(=O)NCCC(=O)Nc1nccs1)(C3)C2.
What is the InChIKey of (1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide?
The InChIKey is LVFADNXJBOMYEY-WEZQJLTASA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-2-17-7-13-8-18(10-17,12-19(25,9-13)11-17)15(24)20-4-3-14(23)22-16-21-5-6-26-16/h5-6,13,25H,2-4,7-12H2,1H3,(H,20,24)(H,21,22,23)/t13-,17+,18+,19-/m1/s1.
What are the key properties of (1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide?
(1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]adamantane-1-carboxamide is sourced from PubChem (CID 131841703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).