N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide

C14H20N2OS — CID 2831688

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESO=C(NC1=NCCS1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20N2OS/c17-12(16-13-15-1-2-18-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,1-8H2,(H,15,16,17)
InChIKeyDDUKRNBJVBLLQM-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.42
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide (PubChem CID 2831688) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide
PubChem CID2831688
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESO=C(NC1=NCCS1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H20N2OS/c17-12(16-13-15-1-2-18-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,1-8H2,(H,15,16,17)
InChIKeyDDUKRNBJVBLLQM-UHFFFAOYSA-N
XLogP2.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide (CID 2831688) is N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide is O=C(NC1=NCCS1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The InChIKey is DDUKRNBJVBLLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c17-12(16-13-15-1-2-18-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,1-8H2,(H,15,16,17).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 2831688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).