N-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C18H19ClN2O2S — CID 51567883

IUPACN-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cs1)c1ccco1
InChIInChI=1S/C18H19ClN2O2S/c19-18-7-11-4-12(8-18)6-17(5-11,10-18)14-9-24-16(20-14)21-15(22)13-2-1-3-23-13/h1-3,9,11-12H,4-8,10H2,(H,20,21,22)/t11-,12+,17?,18?
InChIKeyDTNJWCAQJQNSCX-CCHVVGMOSA-N
MW362.88 g/mol
LogP4.82
Rot. Bonds3

About N-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 51567883) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is N-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID51567883
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC NameN-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cs1)c1ccco1
InChIInChI=1S/C18H19ClN2O2S/c19-18-7-11-4-12(8-18)6-17(5-11,10-18)14-9-24-16(20-14)21-15(22)13-2-1-3-23-13/h1-3,9,11-12H,4-8,10H2,(H,20,21,22)/t11-,12+,17?,18?
InChIKeyDTNJWCAQJQNSCX-CCHVVGMOSA-N
XLogP4.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 51567883) is N-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cs1)c1ccco1.
What is the InChIKey of N-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is DTNJWCAQJQNSCX-CCHVVGMOSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c19-18-7-11-4-12(8-18)6-17(5-11,10-18)14-9-24-16(20-14)21-15(22)13-2-1-3-23-13/h1-3,9,11-12H,4-8,10H2,(H,20,21,22)/t11-,12+,17?,18?.
What are the key properties of N-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 362.88 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51567883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).