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

C16H21FN2OS — CID 85472607

IUPACN-(5-fluoro-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)Nc1ncc(F)s1)(C3)C2
InChIInChI=1S/C16H21FN2OS/c1-14-3-10-4-15(2,7-14)9-16(5-10,8-14)12(20)19-13-18-6-11(17)21-13/h6,10H,3-5,7-9H2,1-2H3,(H,18,19,20)
InChIKeyDYTNMOFXBYOPCF-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.22
Rot. Bonds2

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

N-(5-fluoro-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide (PubChem CID 85472607) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(5-fluoro-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
PubChem CID85472607
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC NameN-(5-fluoro-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)Nc1ncc(F)s1)(C3)C2
InChIInChI=1S/C16H21FN2OS/c1-14-3-10-4-15(2,7-14)9-16(5-10,8-14)12(20)19-13-18-6-11(17)21-13/h6,10H,3-5,7-9H2,1-2H3,(H,18,19,20)
InChIKeyDYTNMOFXBYOPCF-UHFFFAOYSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-(5-fluoro-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide (CID 85472607) is N-(5-fluoro-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-(5-fluoro-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(=O)Nc1ncc(F)s1)(C3)C2.
What is the InChIKey of N-(5-fluoro-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is DYTNMOFXBYOPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-14-3-10-4-15(2,7-14)9-16(5-10,8-14)12(20)19-13-18-6-11(17)21-13/h6,10H,3-5,7-9H2,1-2H3,(H,18,19,20).
What are the key properties of N-(5-fluoro-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide?
N-(5-fluoro-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 85472607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).