3-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide

C15H20N2OS — CID 69389028

IUPAC3-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(Cc4cncs4)(C3)C1)C2
InChIInChI=1S/C15H20N2OS/c16-13(18)15-4-10-1-11(5-15)3-14(2-10,8-15)6-12-7-17-9-19-12/h7,9-11H,1-6,8H2,(H2,16,18)
InChIKeyLBLJLAMTPUQYOU-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.76
Rot. Bonds3

About 3-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide

3-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide (PubChem CID 69389028) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide
PubChem CID69389028
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name3-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(CC(Cc4cncs4)(C3)C1)C2
InChIInChI=1S/C15H20N2OS/c16-13(18)15-4-10-1-11(5-15)3-14(2-10,8-15)6-12-7-17-9-19-12/h7,9-11H,1-6,8H2,(H2,16,18)
InChIKeyLBLJLAMTPUQYOU-UHFFFAOYSA-N
XLogP2.76
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of 3-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide (CID 69389028) is 3-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for 3-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for 3-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide is NC(=O)C12CC3CC(CC(Cc4cncs4)(C3)C1)C2.
What is the InChIKey of 3-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide?
The InChIKey is LBLJLAMTPUQYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c16-13(18)15-4-10-1-11(5-15)3-14(2-10,8-15)6-12-7-17-9-19-12/h7,9-11H,1-6,8H2,(H2,16,18).
What are the key properties of 3-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide?
3-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 69389028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).