2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxamide

C16H21N3O2S — CID 17477587

IUPAC2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C16H21N3O2S/c17-14(21)12-8-18-15(22-12)19-13(20)7-16-4-9-1-10(5-16)3-11(2-9)6-16/h8-11H,1-7H2,(H2,17,21)(H,18,19,20)
InChIKeyNBGGTDSQEHTWSM-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.79
Rot. Bonds4

About 2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxamide

2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 17477587) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID17477587
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C16H21N3O2S/c17-14(21)12-8-18-15(22-12)19-13(20)7-16-4-9-1-10(5-16)3-11(2-9)6-16/h8-11H,1-7H2,(H2,17,21)(H,18,19,20)
InChIKeyNBGGTDSQEHTWSM-UHFFFAOYSA-N
XLogP2.79
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxamide (CID 17477587) is 2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of 2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is NBGGTDSQEHTWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c17-14(21)12-8-18-15(22-12)19-13(20)7-16-4-9-1-10(5-16)3-11(2-9)6-16/h8-11H,1-7H2,(H2,17,21)(H,18,19,20).
What are the key properties of 2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxamide?
2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 17477587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).