2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide

C18H26N2OS — CID 97130798

IUPAC2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide
SMILESC[C@H](Cc1cncs1)NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2OS/c1-12(2-16-10-19-11-22-16)20-17(21)9-18-6-13-3-14(7-18)5-15(4-13)8-18/h10-15H,2-9H2,1H3,(H,20,21)/t12-,13?,14?,15?,18?/m1/s1
InChIKeyHEOAOOUIOSXFAB-QLFDAEIZSA-N
MW318.49 g/mol
LogP3.80
Rot. Bonds5

About 2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide

2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide (PubChem CID 97130798) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide
PubChem CID97130798
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide
SMILESC[C@H](Cc1cncs1)NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N2OS/c1-12(2-16-10-19-11-22-16)20-17(21)9-18-6-13-3-14(7-18)5-15(4-13)8-18/h10-15H,2-9H2,1H3,(H,20,21)/t12-,13?,14?,15?,18?/m1/s1
InChIKeyHEOAOOUIOSXFAB-QLFDAEIZSA-N
XLogP3.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide (CID 97130798) is 2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide is C[C@H](Cc1cncs1)NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide?
The InChIKey is HEOAOOUIOSXFAB-QLFDAEIZSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-12(2-16-10-19-11-22-16)20-17(21)9-18-6-13-3-14(7-18)5-15(4-13)8-18/h10-15H,2-9H2,1H3,(H,20,21)/t12-,13?,14?,15?,18?/m1/s1.
What are the key properties of 2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide?
2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide has a molecular weight of 318.49 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(2R)-1-(1,3-thiazol-5-yl)propan-2-yl]acetamide is sourced from PubChem (CID 97130798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).