N-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide

C19H28N4O2S — CID 25481046

IUPACN-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide
SMILESCC(C)c1nnc(NC(=O)[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C19H28N4O2S/c1-10(2)16-22-23-18(26-16)21-15(24)11(3)20-17(25)19-7-12-4-13(8-19)6-14(5-12)9-19/h10-14H,4-9H2,1-3H3,(H,20,25)(H,21,23,24)/t11-,12?,13?,14?,19?/m1/s1
InChIKeyGWIRBUDBUMSNTR-UZNLNLPZSA-N
MW376.53 g/mol
LogP3.32
Rot. Bonds5

About N-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide

N-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide (PubChem CID 25481046) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide
PubChem CID25481046
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide
SMILESCC(C)c1nnc(NC(=O)[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C19H28N4O2S/c1-10(2)16-22-23-18(26-16)21-15(24)11(3)20-17(25)19-7-12-4-13(8-19)6-14(5-12)9-19/h10-14H,4-9H2,1-3H3,(H,20,25)(H,21,23,24)/t11-,12?,13?,14?,19?/m1/s1
InChIKeyGWIRBUDBUMSNTR-UZNLNLPZSA-N
XLogP3.32
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide (CID 25481046) is N-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide is CC(C)c1nnc(NC(=O)[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of N-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide?
The InChIKey is GWIRBUDBUMSNTR-UZNLNLPZSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-10(2)16-22-23-18(26-16)21-15(24)11(3)20-17(25)19-7-12-4-13(8-19)6-14(5-12)9-19/h10-14H,4-9H2,1-3H3,(H,20,25)(H,21,23,24)/t11-,12?,13?,14?,19?/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide?
N-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide has a molecular weight of 376.53 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 25481046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).