N-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide

C17H21N3OS — CID 85472605

IUPACN-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)Nc1ncc(C#N)s1)(C3)C2
InChIInChI=1S/C17H21N3OS/c1-15-3-11-4-16(2,8-15)10-17(5-11,9-15)13(21)20-14-19-7-12(6-18)22-14/h7,11H,3-5,8-10H2,1-2H3,(H,19,20,21)
InChIKeyJIWMMVJKFIJPNN-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.95
Rot. Bonds2

About N-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide

N-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide (PubChem CID 85472605) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
PubChem CID85472605
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)Nc1ncc(C#N)s1)(C3)C2
InChIInChI=1S/C17H21N3OS/c1-15-3-11-4-16(2,8-15)10-17(5-11,9-15)13(21)20-14-19-7-12(6-18)22-14/h7,11H,3-5,8-10H2,1-2H3,(H,19,20,21)
InChIKeyJIWMMVJKFIJPNN-UHFFFAOYSA-N
XLogP3.95
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide (CID 85472605) is N-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(=O)Nc1ncc(C#N)s1)(C3)C2.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is JIWMMVJKFIJPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-15-3-11-4-16(2,8-15)10-17(5-11,9-15)13(21)20-14-19-7-12(6-18)22-14/h7,11H,3-5,8-10H2,1-2H3,(H,19,20,21).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide?
N-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 85472605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).